data_2lth_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 2lth _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 ' 8' ' ' THR . . . . . 0.41 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HG3' ' CE1' ' A' ' 105' ' ' PHE . 57.4 Cg_endo -71.63 0.44 6.96 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.23 1.954 . . . . 0.0 112.623 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -130.12 18.45 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.41 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -76.87 -15.21 59.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -153.35 152.4 27.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.5 Cg_exo -53.09 -36.01 74.84 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.921 2.414 . . . . 0.0 112.883 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.34 -56.56 23.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.55 -30.49 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.532 -0.393 . . . . 0.0 110.76 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.11 90.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 9.8 pt-20 -75.62 -28.74 58.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.6 -22.32 60.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.032 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -55.62 -55.64 29.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.391 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -27.42 60.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.327 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -67.68 -47.11 70.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -78.45 -9.51 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.068 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -85.52 -50.97 6.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.05 -35.43 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.67 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -64.57 -29.98 71.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.14 -37.85 6.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.878 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.44 -26.78 67.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -66.52 -12.09 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -112.98 16.33 19.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.905 0.383 . . . . 0.0 110.434 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -94.03 139.61 22.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.566 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.94 -27.84 25.12 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.095 2.53 . . . . 0.0 113.512 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.17 -1.19 87.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.675 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.55 154.14 32.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.692 0.758 . . . . 0.0 112.738 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 21.4 p -115.82 162.76 16.84 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.542 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.68 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -55.47 -47.27 76.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.538 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 41' ' ' MET . 49.3 mt-30 -67.54 -46.17 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 34' ' ' THR . 96.5 mt -57.63 -38.76 75.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.84 -175.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.86 -43.34 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.263 0.554 . . . . 0.0 110.899 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 3.5 t70 -69.47 -45.45 68.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.751 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 8.3 ptp -74.58 -30.06 61.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 p -66.96 -28.88 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 109.525 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.9 m -64.56 -44.94 89.16 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.957 174.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mt -68.47 -33.81 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.686 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.33 -49.76 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -74.95 -17.83 60.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.844 0.354 . . . . 0.0 111.279 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.478 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 51.0 m -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.906 0.384 . . . . 0.0 110.433 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 52' ' ' ILE . 95.1 mmm -68.23 -45.8 72.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.761 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.0 m -65.22 -37.77 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.75 0.309 . . . . 0.0 110.833 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -67.0 -30.3 70.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.574 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.595 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 47.2 t -69.47 -43.05 74.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 0.0 110.146 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 48' ' ' MET . 80.4 mt -62.84 -51.01 77.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.0 pt20 -63.73 -31.29 72.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.19 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 66.2 m -63.52 -45.3 91.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.116 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.1 -36.36 83.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.23 86.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.78 73.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.631 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 26.9 mt-30 -78.99 -20.46 49.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.04 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.12 30.14 43.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.164 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 42.4 mtp180 -109.66 6.64 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.051 0.453 . . . . 0.0 110.488 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.68 123.54 25.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.25 0.547 . . . . 0.0 111.863 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -144.77 155.34 56.17 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.46 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.21 -33.03 62.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.175 2.583 . . . . 0.0 113.195 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.9 -54.64 31.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.582 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HD3' HG22 ' B' ' 43' ' ' THR . 55.0 mttm -65.45 -36.8 84.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.901 -177.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.395 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.604 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -67.71 -42.95 81.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 176.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.81 93.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.764 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.23 -31.22 69.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -45.5 93.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.6 mmm -70.78 -39.17 73.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.754 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -54.47 -39.49 67.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' A' ' 77' ' ' MET . 84.4 t80 -71.54 -46.67 58.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 177.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.63 78.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.014 0.435 . . . . 0.0 111.272 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -73.95 -39.85 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.065 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.432 ' O ' HG13 ' A' ' 80' ' ' ILE . 7.7 p -69.72 -36.43 75.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.788 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.5 mmt -64.2 -40.58 96.37 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.5 93.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.192 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -55.07 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.283 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 76' ' ' SER . 37.1 mt -49.21 -45.55 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 O-C-N 123.519 0.512 . . . . 0.0 111.58 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -46.29 63.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.022 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.024 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 44.9 m -55.28 -68.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.253 0.346 . . . . 0.0 110.711 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 83' ' ' SER . 12.6 mt-10 -167.55 133.31 2.04 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.778 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -91.36 -32.46 15.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.394 1.092 . . . . 0.0 110.478 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 -52.16 3.71 Favored Glycine 0 C--N 1.294 -1.786 0 CA-C-N 113.382 -1.735 . . . . 0.0 112.435 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.11 51.75 0.85 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.173 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.31 -134.44 2.17 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.237 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 48.0 t -155.81 151.45 27.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.499 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 46.1 tp -54.83 -42.25 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.554 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 p -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.423 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -58.91 -42.53 89.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.946 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' A' ' 90' ' ' LEU . 19.2 pttp -68.32 -36.63 79.58 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -65.14 -42.48 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 110.474 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.7 t -65.32 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.286 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.846 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.1 -45.7 95.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.861 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -47.59 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 111.23 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -66.43 -38.9 88.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.52 -32.57 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.414 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 21.7 mmt -63.43 -50.25 70.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.987 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -56.92 -35.59 69.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.401 0.62 . . . . 0.0 109.797 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.3 t30 -63.05 -45.5 91.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.138 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.46 89.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.497 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 9' ' ' PRO . 72.9 m-85 -65.17 -34.73 79.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.91 -15.49 58.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.4 mm-40 -88.36 -30.35 19.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -82.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.9 t -84.46 -33.05 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.26 13.85 25.68 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.624 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -149.44 151.0 13.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.47 136.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 19.2 m120 -63.6 -36.54 84.14 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.928 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 7.3 tp60 103.77 -64.67 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.253 1.421 . . . . 0.0 113.092 175.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 17.3 Cg_exo -66.95 -22.98 47.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 121.351 1.518 . . . . 0.0 111.83 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.639 ' O ' HG12 ' A' ' 120' ' ' ILE . 30.6 t80 -53.21 -52.19 59.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.37 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.3 mm -60.9 -38.91 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.675 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -63.97 -45.04 90.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.755 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.482 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 52.9 mm-40 -65.88 -32.94 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -177.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 116' ' ' PHE . 48.1 mm -63.33 -35.94 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.147 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.6 p -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.066 0.46 . . . . 0.0 110.587 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.482 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 10.1 mt-30 -71.33 -43.45 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.294 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.79 -49.1 78.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.088 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 120' ' ' ILE . 4.1 t -68.68 -12.31 15.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.5 m -116.55 4.32 13.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.1 ptm -104.15 -43.66 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.379 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -65.61 -20.0 66.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.91 90.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.5 mp0 -74.27 -33.21 63.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.52 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.27 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.91 40.76 99.29 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.198 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -85.6 15.84 4.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.858 0.837 . . . . 0.0 110.321 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.313 -0.986 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.831 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.443 ' O ' HG22 ' B' ' 11' ' ' THR . 1.6 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.52 2.23 2.09 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.403 2.068 . . . . 0.0 112.619 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -139.73 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.447 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 8' ' ' THR . 8.8 t -77.85 -22.41 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.055 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -148.97 152.8 37.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.18 -35.78 43.98 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.486 2.791 . . . . 0.0 113.352 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.04 71.22 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.818 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.76 0.314 . . . . 0.0 110.581 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.89 67.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.69 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.552 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 12.2 pt-20 -68.81 -33.08 73.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.11 0.481 . . . . 0.0 110.639 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.38 -27.03 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.68 -59.48 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.612 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.7 OUTLIER -71.65 -26.94 62.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.397 -174.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 22.7 m-80 -65.69 -52.34 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.665 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.435 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 44.5 p -68.67 -29.74 68.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 111.015 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -59.0 -49.91 76.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' B' ' 20' ' ' MET . 81.9 mmm -62.55 -36.14 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 86.8 mt-30 -60.7 -42.79 97.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.397 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.2 -37.14 29.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.451 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' B' ' 33' ' ' PHE . 34.6 tp -66.49 -31.46 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -177.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.5 t -67.12 -9.24 37.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -109.78 16.48 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.121 0.486 . . . . 0.0 110.068 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -101.17 134.19 20.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.56 -23.47 36.95 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.187 2.591 . . . . 0.0 113.037 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.55 -7.11 87.15 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.072 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' B' ' 27' ' ' LEU . 29.0 m-85 -116.77 159.14 22.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.531 0.681 . . . . 0.0 112.15 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.1 p -124.42 169.1 12.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.447 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.93 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m -60.09 -43.44 95.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.675 ' O ' ' HG3' ' B' ' 41' ' ' MET . 50.7 mt-30 -66.54 -53.98 28.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.443 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.75 -35.3 66.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.684 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.25 -45.4 94.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.016 0.436 . . . . 0.0 110.882 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.56 -44.88 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.258 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' B' ' 37' ' ' GLN . 36.5 mtp -65.42 -34.04 77.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.972 -174.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.49 ' OG ' ' HE3' ' B' ' 24' ' ' MET . 50.9 m -67.18 -14.86 63.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.551 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 13.2 m -73.22 -42.31 62.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -66.74 -37.38 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.834 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.43 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.274 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.8 OUTLIER -76.6 -18.99 58.32 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.314 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.595 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 68.3 m -72.76 -43.35 62.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 110.408 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.479 ' O ' HG13 ' B' ' 52' ' ' ILE . 85.4 mmm -66.65 -46.37 75.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.598 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 23.7 m -62.64 -37.75 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.654 0.264 . . . . 0.0 111.096 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.478 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 8.2 t -73.98 -41.67 61.6 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 48' ' ' MET . 85.2 mt -61.86 -47.52 92.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.4 pt20 -67.26 -29.42 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.235 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -66.13 -38.85 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.09 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.505 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.41 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.791 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.79 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 110.783 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.13 -6.99 43.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.478 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 24.74 76.62 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.767 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.99 24.96 11.12 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.03 125.06 34.84 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.224 0.535 . . . . 0.0 111.66 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 43.3 m -143.79 155.15 59.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.543 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 17.3 Cg_endo -52.93 -44.19 50.61 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.46 2.773 . . . . 0.0 112.911 -175.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -69.99 -41.06 74.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.6 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.461 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 56.5 mttm -66.21 -35.29 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.178 0.513 . . . . 0.0 110.673 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.14 -32.08 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.33 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -66.78 -42.92 85.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.047 174.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.79 -24.69 67.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -94.91 3.76 54.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.216 0.531 . . . . 0.0 110.195 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -94.57 -51.5 4.72 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.95 -34.6 73.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.277 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.406 ' N ' ' HE1' ' B' ' 48' ' ' MET . 83.8 t80 -63.58 -48.97 75.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.586 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.517 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -76.62 -35.22 58.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.213 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.619 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 57.8 p -81.0 4.99 17.73 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.503 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 21.7 mmt -106.7 -11.87 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.315 0.578 . . . . 0.0 109.781 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 -44.58 12.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.63 -174.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.619 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -72.75 -32.35 65.59 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.853 -176.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' B' ' 41' ' ' MET . 4.0 mt -55.17 -50.31 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.02 57.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.66 70.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.869 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -67.7 -68.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -139.5 114.57 9.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' B' ' 85' ' ' GLU . 0.0 OUTLIER -97.16 -30.14 13.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.513 1.149 . . . . 0.0 109.654 177.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.56 -53.22 4.06 Favored Glycine 0 C--N 1.298 -1.566 0 CA-C-N 113.313 -1.767 . . . . 0.0 112.483 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.27 55.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.171 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 -155.21 7.0 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.086 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 38.9 t -141.29 166.5 24.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.515 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 0.3 OUTLIER -56.38 -49.25 74.99 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.584 0.552 . . . . 0.0 110.141 -177.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 7.1 p -70.92 -45.26 64.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.206 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -56.77 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.3 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 54.9 pttt -69.5 -29.3 66.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.119 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 60.0 m -67.11 -43.8 81.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -67.84 -37.08 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -59.98 -48.5 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.522 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.85 -46.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.63 0.252 . . . . 0.0 110.669 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.33 85.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.577 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.11 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -60.52 -43.26 97.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.237 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -55.06 -51.83 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -54.47 -41.38 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.888 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.08 -27.66 65.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.032 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.519 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 46.2 m-85 -73.43 -31.43 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.23 0.538 . . . . 0.0 110.619 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.7 -21.04 45.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.285 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.0 mm-40 -84.01 -25.04 30.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.58 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.0 p -91.52 -66.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.429 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -105.89 -26.59 11.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.664 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 16.33 23.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.485 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.4 p -159.77 152.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.95 128.59 51.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.586 0.231 . . . . 0.0 110.421 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.618 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 0.2 OUTLIER -57.71 -41.67 82.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 103.99 -67.72 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 125.476 1.51 . . . . 0.0 112.913 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 11.1 Cg_endo -53.8 -31.87 63.78 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.231 1.954 . . . . 0.0 112.72 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.619 ' O ' HG12 ' B' ' 120' ' ' ILE . 49.0 t80 -53.98 -55.39 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.3 -37.24 78.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.219 0.533 . . . . 0.0 110.959 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.32 -28.26 67.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.041 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -89.74 -22.62 22.1 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.045 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 116' ' ' PHE . 46.2 mm -65.95 -37.64 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.68 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 17.6 p -62.22 -33.31 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.132 0.491 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -69.61 -37.54 76.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.61 -49.06 79.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.079 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.76 -38.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.037 0.446 . . . . 0.0 110.966 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 17.0 t -81.81 -11.51 58.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.663 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -98.93 -36.64 9.69 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -66.91 -16.23 64.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.684 0.278 . . . . 0.0 111.691 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.538 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.418 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.6 mp0 -88.29 -7.58 56.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.075 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' A' ' 119' ' ' GLU . . . -53.64 -43.99 69.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.345 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.17 -18.16 5.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.916 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -78.77 5.27 11.69 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.777 0.798 . . . . 0.0 111.207 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.604 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.516 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.45 -3.61 11.33 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.72 2.28 . . . . 0.0 112.6 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -127.86 23.0 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -74.41 -11.57 60.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.419 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -151.89 153.12 31.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.74 -30.2 83.48 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.084 2.522 . . . . 0.0 112.726 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.49 -55.52 29.54 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.217 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.48 -28.95 68.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.794 0.33 . . . . 0.0 110.776 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.57 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.48 -30.9 62.02 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -54.41 -46.64 73.21 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.761 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.02 -40.02 75.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.367 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.6 mtt -71.91 -50.28 30.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.639 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -69.47 -27.81 65.54 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.775 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 59.3 m -69.49 -25.69 64.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.964 0.411 . . . . 0.0 110.789 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.87 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -33.53 74.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.766 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 18.8 pt20 -68.52 -21.16 64.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -178.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 -28.15 8.0 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.654 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 33' ' ' PHE . 37.4 tp -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.091 0.472 . . . . 0.0 110.303 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 35.0 p -68.26 -16.52 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.641 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -103.62 10.89 36.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.4 139.92 25.4 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.916 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.29 -21.78 40.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.138 2.559 . . . . 0.0 112.99 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.88 76.51 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.377 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.435 ' CE1' HD11 ' A' ' 27' ' ' LEU . 77.9 m-85 -115.4 169.28 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 111.603 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -119.64 152.33 37.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.775 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.54 66.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -71.37 -48.75 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.04 -18.28 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 0.0 111.118 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 57.3 mt -69.64 -24.48 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.02 -42.29 84.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.596 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.45 -42.36 92.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.942 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.47 ' HG2' HG23 ' A' ' 80' ' ' ILE . 30.6 mtp -68.58 -41.14 80.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.101 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -29.9 69.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.779 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 16.7 m -61.54 -42.38 98.74 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.863 0.364 . . . . 0.0 110.163 177.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -66.44 -37.72 80.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.304 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.65 75.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.866 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -74.1 -15.63 61.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.436 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 m -79.19 -41.53 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.984 0.421 . . . . 0.0 110.201 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.45 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 95.0 mmm -65.87 -44.0 86.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.624 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 33.4 m -66.55 -38.55 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.0 -38.74 82.99 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 121.251 -0.18 . . . . 0.0 110.712 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.634 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.2 t -58.15 -53.73 54.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.05 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.78 -51.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 48.3 mt-30 -61.65 -38.53 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.256 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.4 m -73.31 -32.54 64.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 51' ' ' SER . 75.3 mt -69.26 -34.82 75.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.411 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.56 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.971 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.18 78.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -77.64 -41.84 36.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.61 52.36 0.67 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.24 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -131.25 19.17 4.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.33 0.586 . . . . 0.0 110.049 173.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 162.01 15.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.683 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.446 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 31.2 t -170.79 149.95 2.99 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.9 -34.9 78.09 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.269 1.979 . . . . 0.0 111.452 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -75.63 -31.28 59.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.164 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 9.5 tppt? -72.88 -39.97 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.984 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 62' ' ' SER . 69.6 mt -65.95 -29.99 70.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.765 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 52.4 tt0 -58.56 -51.2 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.801 176.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.587 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -61.16 -30.51 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.324 0.583 . . . . 0.0 111.068 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 65' ' ' LYS . 3.9 mm? -70.43 -18.22 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.873 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -73.6 -56.3 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.7 mmm -65.66 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.36 71.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' N ' ' HE2' ' A' ' 48' ' ' MET . 60.3 t80 -79.02 -44.98 21.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.292 0.568 . . . . 0.0 110.265 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 120' ' ' ILE . . . -62.45 -33.87 75.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.963 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -74.96 -44.7 46.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.485 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.437 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.5 p -65.29 -33.03 75.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.876 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.521 ' HE1' ' HA ' ' A' ' 77' ' ' MET . 29.7 mmt -64.22 -38.72 92.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.78 83.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' B' ' 71' ' ' MET . 44.2 tt0 -57.71 -52.32 65.92 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.659 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 41' ' ' MET . 9.6 mt -64.64 -42.94 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.63 80.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.602 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.41 70.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.234 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 m -85.0 -50.04 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -92.49 134.96 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.576 0.703 . . . . 0.0 112.18 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.77 149.22 23.35 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.045 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.48 32.24 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.343 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.32 -47.48 0.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.46 159.66 23.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.961 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.4 p -95.87 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.619 0.209 . . . . 0.0 110.573 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.62 -36.73 72.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 p -74.94 -40.55 60.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.106 0.479 . . . . 0.0 110.559 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -63.39 -47.94 79.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.357 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.58 -38.37 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.781 0.324 . . . . 0.0 110.833 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.6 m -65.68 -47.77 74.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.5 t -66.28 -32.73 74.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.594 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -59.86 -48.27 82.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.32 -40.84 83.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.624 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.12 78.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.259 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 t -67.07 -43.1 83.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.588 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -67.21 -35.09 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.716 -178.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -66.37 -36.0 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.164 0.507 . . . . 0.0 110.187 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m -68.49 -39.88 81.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.1 p-10 -75.34 -20.15 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.561 -175.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.49 75.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 39.2 m-85 -65.93 -28.55 69.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 111.291 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.78 -7.06 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.309 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -98.06 -46.39 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -74.1 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.615 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -101.48 -55.0 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.895 0.378 . . . . 0.0 111.103 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.12 6.14 8.46 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.99 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -141.02 147.84 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -104.36 141.87 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.422 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 27.1 t-20 -100.68 123.51 44.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.51 -60.61 9.48 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.534 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 Cg_endo -49.1 -42.2 39.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.17 1.913 . . . . 0.0 112.631 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.596 ' O ' HG12 ' A' ' 120' ' ' ILE . 40.4 t80 -56.1 -56.25 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.3 . . . . 0.0 110.61 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.18 -42.16 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.8 -37.15 81.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 39.4 mm-40 -62.72 -38.14 89.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -59.85 -40.13 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.975 -177.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.6 p -67.34 -31.9 72.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 110.889 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -71.97 -33.86 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.21 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -48.46 81.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.39 -38.55 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 110.22 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 t -65.69 -47.33 75.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.158 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.3 ptm -69.69 -45.06 69.14 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.12 -23.65 67.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.33 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.98 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.149 0.499 . . . . 0.0 110.843 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.469 HE21 ' HB2' ' A' ' 129' ' ' GLN . 3.1 mt-30 -93.71 -27.68 16.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.764 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.64 3.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.986 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.86 89.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.562 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -79.72 8.37 6.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.945 0.878 . . . . 0.0 110.95 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.443 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.567 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 16.9 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.438 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 35.8 Cg_endo -67.37 1.92 2.69 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.186 1.924 . . . . 0.0 112.995 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 9.8 p90 -134.77 10.93 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.567 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.8 t -76.72 -24.36 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.188 0.518 . . . . 0.0 110.438 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -141.8 150.6 57.23 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.57 -31.68 92.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.754 2.303 . . . . 0.0 112.829 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.77 -36.63 93.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.912 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.453 ' HA ' ' HB2' ' B' ' 18' ' ' ASN . 75.1 mt -84.72 -32.01 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.482 -0.422 . . . . 0.0 110.74 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.25 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.328 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -22.74 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.435 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.453 ' HB2' ' HA ' ' B' ' 15' ' ' LEU . 0.5 OUTLIER -63.57 -44.6 93.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.668 177.431 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.22 -38.88 66.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.882 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 16.0 mmt -62.18 -60.0 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.117 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.4 p30 -68.27 -30.5 69.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.272 -175.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -65.15 -38.0 89.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.02 -49.28 75.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.666 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 80.7 mmm -60.69 -36.71 79.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.392 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 81.1 mt-30 -57.11 -55.2 37.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 0.0 110.417 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.09 91.1 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.388 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.37 -32.26 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.684 0.278 . . . . 0.0 110.831 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -69.72 -6.41 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.646 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -112.66 9.69 19.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.597 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -92.75 144.46 28.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.731 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.55 -15.06 14.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.926 2.418 . . . . 0.0 113.045 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . 0.432 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -74.37 -25.24 71.07 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.522 -176.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -122.08 152.77 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 111.164 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.428 HG21 ' O ' ' B' ' 86' ' ' GLY . 17.6 p -102.79 169.8 8.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.513 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.21 96.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.5 t -62.83 -35.18 79.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' B' ' 41' ' ' MET . 25.6 mm-40 -62.2 -52.06 65.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.887 0.375 . . . . 0.0 111.248 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.81 -27.61 69.0 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.1 -25.34 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.897 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.5 -35.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.454 ' HG2' HG22 ' B' ' 80' ' ' ILE . 43.6 mtp -72.99 -37.54 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.642 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.6 p -59.06 -24.54 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m -59.24 -39.94 84.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' B' ' 48' ' ' MET . 60.8 mt -72.99 -35.59 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 109.873 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.94 89.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 176.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.34 -18.4 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.872 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.451 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 59.4 p -83.31 -34.76 25.64 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.459 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 86.4 mmm -65.4 -43.61 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.112 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 31.7 m -68.49 -38.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.852 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -65.35 -39.32 92.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 23.2 t -60.02 -53.19 60.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.956 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 85.7 mt -55.21 -46.62 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.366 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.11 -40.85 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.001 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -70.21 -32.24 70.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' B' ' 51' ' ' SER . 78.3 mt -68.71 -37.3 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.12 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -27.6 63.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.465 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . 0.493 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 44.2 mt-30 -96.6 -3.27 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.21 14.7 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.616 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.493 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -133.41 20.22 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 0.0 110.387 172.501 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 149.93 31.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.121 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -171.15 151.72 3.24 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.86 -39.96 76.55 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.613 2.209 . . . . 0.0 111.034 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.4 -48.38 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.161 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -41.46 96.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.888 -176.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -69.72 -36.3 75.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.489 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 63.0 tt0 -65.27 -47.21 77.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.41 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.9 -22.92 65.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.267 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 mt -87.83 -5.71 58.48 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.87 -46.16 25.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.428 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 96.5 mmm -77.87 -34.32 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -26.99 64.51 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.189 0.519 . . . . 0.0 111.132 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.11 -45.15 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.54 . . . . 0.0 110.155 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.91 79.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.683 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.8 p -71.45 -45.56 62.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 12.3 p -67.04 -35.22 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.516 ' HA ' ' HE3' ' B' ' 77' ' ' MET . 29.5 mmt -64.95 -38.83 92.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 110.467 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.07 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.469 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.587 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 88.8 tt0 -58.12 -52.57 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' B' ' 41' ' ' MET . 8.7 mt -62.49 -39.02 82.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.141 0.496 . . . . 0.0 110.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.55 86.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.299 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.37 67.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.863 0.363 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.0 m -70.09 -64.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.525 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -120.99 -178.73 3.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.212 0.529 . . . . 0.0 111.537 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 6.0 pt-20 -158.66 150.12 20.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.102 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.428 ' O ' HG21 ' B' ' 34' ' ' THR . . . -128.36 72.57 0.47 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.644 -174.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.47 -32.2 7.79 Favored Glycine 0 CA--C 1.499 -0.94 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.432 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -100.22 156.51 19.55 Favored Glycine 0 N--CA 1.434 -1.448 0 CA-C-N 114.593 -0.804 . . . . 0.0 112.432 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -93.94 -170.25 2.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.3 tp -54.83 -38.59 67.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.604 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -67.14 -46.88 72.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.317 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -67.24 -46.08 74.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.518 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.82 -41.05 97.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.0 110.598 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 58.4 m -66.33 -44.11 84.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -62.15 -36.06 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.58 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -64.37 -49.7 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.22 -46.8 94.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.25 82.99 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -68.52 -39.83 81.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.98 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.162 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.62 -42.99 95.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 28.9 m -60.46 -34.41 73.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.2 t30 -62.22 -52.84 62.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.543 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -33.99 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.238 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.479 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.1 m-85 -67.08 -37.36 83.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.779 0.324 . . . . 0.0 111.29 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.62 -20.64 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.289 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 83.8 mm-40 -81.6 -34.65 30.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.079 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 7.5 p -93.71 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -93.34 -45.13 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.06 0.457 . . . . 0.0 111.381 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.28 4.25 25.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.479 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.9 p -142.2 149.22 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.18 133.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -88.84 105.53 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.109 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 55.3 mt-30 -54.79 -50.99 82.83 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 34.5 Cg_endo -64.55 -0.32 2.92 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.075 1.85 . . . . 0.0 113.373 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.484 ' O ' HG12 ' B' ' 120' ' ' ILE . 47.4 t80 -93.14 -52.96 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.2 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.863 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -74.3 -5.73 43.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.194 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.99 -28.8 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 110.423 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -63.52 -34.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.798 -178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -59.12 -34.99 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.05 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.911 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.75 -49.27 78.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.367 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.36 -35.42 66.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.054 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -77.82 -46.06 22.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.465 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.1 ptm -59.43 -46.64 88.16 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.31 -32.02 73.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.699 0.285 . . . . 0.0 110.85 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -35.51 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.671 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.8 mt-30 -78.13 -30.11 49.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.604 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.59 98.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.099 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 79.84 18.86 71.74 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.024 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -80.79 11.33 3.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.862 0.839 . . . . 0.0 110.308 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' B' ' 131' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.927 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.705 176.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 11' ' ' THR . 23.4 p . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.416 0.151 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.0 -23.39 43.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.301 2.001 . . . . 0.0 112.306 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -103.61 18.78 21.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.022 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 8' ' ' THR . 10.6 t -82.69 -14.55 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.989 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -153.21 149.26 21.26 Favored Pre-proline 0 C--O 1.233 0.202 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.19 -36.82 97.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.814 2.342 . . . . 0.0 113.086 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -50.63 63.75 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.978 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -68.21 -35.5 78.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.311 -0.523 . . . . 0.0 110.924 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.01 -34.56 57.46 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.864 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -63.85 -27.61 69.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 111.114 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -59.87 -34.28 72.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.694 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mmt -75.35 -45.83 36.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 109.247 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 75.5 m-20 -61.74 -49.27 77.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -32.71 72.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.449 ' CE2' HD22 ' A' ' 27' ' ' LEU . 79.7 t80 -69.61 -50.02 48.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.648 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -61.22 -36.38 79.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.727 -176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.6 mt-30 -59.85 -46.37 89.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.927 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.26 -32.71 46.98 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 23' ' ' PHE . 38.7 tp -68.33 -31.18 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 110.77 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -72.27 2.07 6.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.193 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -114.85 11.69 16.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.463 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -98.37 141.99 23.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.081 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.94 -27.18 12.43 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.885 2.39 . . . . 0.0 113.159 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.26 -15.45 70.08 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.925 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -116.33 155.48 28.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.215 0.531 . . . . 0.0 111.008 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.8 p -111.84 153.94 25.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.913 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.56 39.07 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.252 0.345 . . . . 0.0 111.742 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 m -60.09 -42.26 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -69.07 -45.5 70.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.67 -40.33 68.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.21 -23.51 61.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.156 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -86.2 -43.51 12.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.2 ptm -73.28 -22.42 60.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.9 -28.99 69.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.514 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -58.3 -41.47 84.5 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.85 -36.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 0.0 110.192 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -50.54 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.001 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -14.4 60.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.61 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -82.0 -40.41 22.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.74 0.305 . . . . 0.0 110.424 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 83.7 mmm -62.6 -42.35 99.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.45 -38.22 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.41 -35.82 76.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.499 0.19 . . . . 0.0 110.919 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.25 -43.35 98.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 0.0 110.292 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.88 -49.22 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.379 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -56.52 -39.11 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -67.43 -46.76 72.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.84 -33.6 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.8 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.68 89.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.788 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.81 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.84 -10.86 46.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.089 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.34 28.6 65.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.269 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -107.32 13.26 27.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.019 0.438 . . . . 0.0 110.621 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -84.68 116.58 23.28 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 m -110.94 157.37 38.83 Favored Pre-proline 0 C--N 1.317 -0.848 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.469 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.57 -43.75 54.98 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -69.77 -36.94 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.298 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 3.4 tppt? -59.59 -50.3 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.479 0.657 . . . . 0.0 110.299 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.58 -32.43 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.893 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.09 -43.24 87.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.9 93.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.777 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.62 -10.34 59.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.409 HD21 ' HA ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -76.25 -51.38 12.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.651 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 26.0 mtp -82.77 -24.18 33.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.991 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.32 73.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 0.0 110.056 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.31 -47.18 77.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.387 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.23 83.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.292 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -73.61 -35.89 65.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.45 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 32.3 t -65.3 -39.07 92.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.437 0.637 . . . . 0.0 110.646 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.5 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 28.9 mmt -70.37 -27.01 64.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.903 0.382 . . . . 0.0 110.193 177.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.5 65.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 10.4 pt-20 -66.45 -40.16 89.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.252 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.66 -44.39 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.266 0.555 . . . . 0.0 110.108 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.07 -48.09 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.76 82.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -54.29 -68.28 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.802 0.689 . . . . 0.0 111.961 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.53 161.22 35.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.27 159.03 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.373 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.28 -34.77 0.4 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.569 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.53 -6.25 47.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.98 -153.1 6.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.005 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.8 t -126.86 -167.68 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.37 -37.0 71.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.707 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -66.31 -48.67 69.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.3 0.571 . . . . 0.0 110.321 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -44.32 91.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.631 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -63.87 -37.76 88.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.5 m -65.46 -49.77 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 m -61.92 -38.08 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.2 m -59.5 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 101' ' ' MET . 58.1 mt -66.29 -44.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.544 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.53 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.522 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -67.7 -35.03 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.742 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.85 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.343 . . . . 0.0 110.707 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.445 ' C ' ' H ' ' A' ' 103' ' ' ASN . 26.0 mmt -64.09 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -77.69 20.78 0.32 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.486 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.7 t30 -126.67 -43.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.39 78.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.156 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 63.9 m-85 -64.4 -32.41 74.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 111.331 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 3.1 mm? -78.3 -11.49 59.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.591 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.8 mm-40 -95.16 -34.25 12.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.385 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.06 -68.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.709 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 p -91.37 -43.54 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.057 0.456 . . . . 0.0 110.789 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.78 12.87 13.54 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.421 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -148.73 149.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 106' ' ' LEU . 2.6 p -126.46 142.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 -176.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.16 121.53 45.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.753 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.527 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -58.8 -53.56 65.17 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.501 -176.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' A' ' 114' ' ' GLN . 88.4 Cg_exo -45.55 -44.26 17.27 Favored 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.25 1.967 . . . . 0.0 113.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.37 -48.3 81.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.17 -37.71 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -71.58 -12.41 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.465 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.502 ' HA ' HE21 ' A' ' 122' ' ' GLN . 25.0 mm-40 -83.69 -41.75 17.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.25 -33.49 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.362 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.4 p -66.43 -21.57 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.528 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 119' ' ' GLU . 41.1 mt-30 -81.82 -36.83 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.04 -59.28 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.425 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.69 -35.56 60.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.872 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -73.97 -44.91 53.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.401 -176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.8 ptm -70.85 -39.13 73.13 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.27 -21.33 66.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.569 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.673 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.89 -19.48 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.413 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.01 83.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.144 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.69 22.71 75.45 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.51 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -81.71 12.44 3.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.64 0.733 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.045 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.533 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.457 ' O ' HG23 ' B' ' 11' ' ' THR . 4.9 p . . . . . 0 C--O 1.225 -0.208 0 N-CA-C 111.361 0.134 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.86 -26.18 44.8 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.475 2.117 . . . . 0.0 112.148 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -93.94 23.23 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.457 HG23 ' O ' ' B' ' 8' ' ' THR . 9.4 t -72.6 -24.73 61.12 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.776 177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -148.84 151.79 35.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.94 -36.66 84.41 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.933 2.422 . . . . 0.0 113.186 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.05 -50.45 67.58 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.063 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.29 -32.8 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.513 -0.404 . . . . 0.0 110.72 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -78.34 -31.88 48.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 110.627 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -33.8 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 175.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -55.52 -46.06 77.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.5 mmt -61.4 -50.04 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.576 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -63.15 -28.19 69.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.411 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -75.23 -53.8 8.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.5 mmm -61.2 -39.07 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.56 -33.88 76.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.66 -37.31 23.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.968 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' B' ' 33' ' ' PHE . 31.3 tp -65.85 -29.29 69.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -67.83 -10.49 53.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.247 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m -104.15 13.5 32.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.57 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.65 138.54 19.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.852 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.54 -18.89 28.92 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.058 2.505 . . . . 0.0 113.43 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.66 -24.17 75.39 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.296 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.467 ' CE1' HD12 ' B' ' 27' ' ' LEU . 66.5 m-85 -113.44 160.72 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -128.39 172.41 11.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.9 72.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.988 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.6 m -64.04 -39.68 94.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -82.07 -43.79 17.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -30.99 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.932 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.96 -37.69 74.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.645 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -86.86 -38.36 16.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.831 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -77.02 -25.97 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -60.35 -35.89 76.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.023 0.439 . . . . 0.0 110.285 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 4.4 m -58.84 -45.83 89.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.749 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -67.12 -37.69 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.62 76.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -7.98 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.421 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.3 m -83.21 -43.27 16.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.439 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 86.0 mmm -60.7 -39.47 88.63 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.96 -37.12 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.65 -31.3 66.69 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.654 0.264 . . . . 0.0 110.932 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -63.89 -44.84 91.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.65 -46.5 96.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.47 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.44 -38.89 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.352 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -66.04 -41.67 90.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.668 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.74 -35.67 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.06 97.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.59 -14.0 61.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.348 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.47 -0.33 26.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.39 28.95 70.51 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.617 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.64 20.68 18.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.252 0.548 . . . . 0.0 110.163 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.7 p -101.09 116.54 33.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.571 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -116.94 158.9 42.85 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.006 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.2 -44.88 45.23 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -71.75 -35.66 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.101 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' B' ' 65' ' ' LYS . 9.3 tppt? -60.36 -48.03 83.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.63 -40.95 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.86 -44.46 86.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.876 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.514 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -69.61 -8.65 49.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.76 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.0 mt -104.61 -0.96 27.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.922 0.392 . . . . 0.0 110.642 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.98 8.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.445 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 12.4 mtp -78.51 -28.63 46.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.215 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.39 -42.23 66.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.193 0.52 . . . . 0.0 110.478 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -69.5 -50.66 43.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.387 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -36.42 72.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.47 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -73.62 -40.12 64.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' B' ' 79' ' ' GLU . 21.5 t -64.5 -36.25 83.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.259 0.552 . . . . 0.0 110.585 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -70.0 -22.17 63.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.872 0.368 . . . . 0.0 110.409 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.04 -47.39 18.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.768 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.651 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 0.0 OUTLIER -61.96 -46.7 88.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 76' ' ' SER . 22.5 mt -55.05 -45.59 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -48.07 62.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.287 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.04 69.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.512 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -68.05 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -138.93 132.08 29.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' B' ' 93' ' ' LYS . 1.5 pm0 -89.84 164.47 14.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.66 -35.56 22.07 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.089 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.61 -30.75 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.719 -0.553 . . . . 0.0 111.719 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.83 163.17 54.62 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.519 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -76.91 -175.24 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.0 111.258 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.92 -38.06 84.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.092 0.472 . . . . 0.0 110.122 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.9 m -67.68 -44.2 78.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.272 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -61.77 -47.52 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.496 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.502 ' HE3' ' HB3' ' B' ' 85' ' ' GLU . 9.1 ptpp? -62.32 -35.52 79.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 110.825 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -69.69 -48.77 58.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -62.14 -34.34 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -61.13 -48.95 79.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -68.64 -46.32 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.0 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.73 83.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t -65.49 -36.57 84.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.59 67.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.691 0.282 . . . . 0.0 111.075 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.403 ' C ' ' H ' ' B' ' 103' ' ' ASN . 25.0 mmt -61.77 -37.46 84.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.12 0.486 . . . . 0.0 109.995 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -77.06 16.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.969 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.6 t30 -121.38 -41.95 2.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.27 76.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.176 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.584 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 56.6 m-85 -63.99 -36.0 82.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.147 0.498 . . . . 0.0 111.475 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.411 HD13 ' N ' ' B' ' 106' ' ' LEU . 6.3 mp -73.63 -18.79 61.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.717 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.3 mm-40 -85.39 -34.78 21.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 p -86.28 -67.43 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.489 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -88.94 -43.37 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.454 . . . . 0.0 110.596 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.11 -2.39 20.9 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -139.79 149.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 138.26 43.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.035 0.445 . . . . 0.0 111.141 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -91.29 109.62 20.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.124 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.93 -52.77 69.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.74 -44.9 25.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.182 1.921 . . . . 0.0 112.504 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.549 ' O ' HG12 ' B' ' 120' ' ' ILE . 43.3 t80 -58.3 -53.3 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.87 -39.95 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.295 0.569 . . . . 0.0 110.667 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.94 -14.08 60.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.613 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.448 ' HA ' HE21 ' B' ' 122' ' ' GLN . 48.1 mm-40 -86.18 -33.88 20.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.549 HG12 ' O ' ' B' ' 116' ' ' PHE . 50.1 mm -63.42 -40.88 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 15.5 p -58.96 -37.44 76.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' B' ' 119' ' ' GLU . 47.6 mt-30 -70.7 -35.76 72.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.991 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.93 -49.68 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.5 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.29 -35.78 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.037 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -84.26 1.85 42.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.909 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 20.7 ptm -109.63 -42.67 4.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.905 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . 0.438 ' N ' ' HG3' ' B' ' 126' ' ' MET . 28.4 m-85 -65.36 -19.12 65.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 111.117 -177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.91 76.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.5 mp0 -84.47 -19.24 33.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.636 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.37 -56.42 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.301 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 70.5 20.07 76.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.087 174.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -84.4 21.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.769 0.795 . . . . 0.0 110.835 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' B' ' 131' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.135 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.729 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 11' ' ' THR . 1.3 p . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.05 -23.77 33.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.281 1.987 . . . . 0.0 112.26 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -103.12 13.35 34.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 8' ' ' THR . 11.0 t -85.88 -3.28 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.628 0.728 . . . . 0.0 109.254 174.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.12 123.65 12.51 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.894 -174.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.97 -41.51 78.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.319 2.013 . . . . 0.0 111.278 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -37.18 94.06 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -78.33 -34.05 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.245 -0.562 . . . . 0.0 110.642 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.27 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.92 -37.84 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.292 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -67.44 -24.31 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -58.06 -46.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.098 0.475 . . . . 0.0 109.938 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.49 -41.74 75.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.317 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -59.7 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.878 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -72.46 -15.57 61.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.485 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 69.9 t80 -82.86 -54.28 5.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.272 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.2 mmm -61.48 -36.25 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -60.25 -28.32 67.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.941 0.4 . . . . 0.0 110.752 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.55 -33.72 5.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.209 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.4 tp -67.97 -34.92 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.759 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 6.8 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 111.321 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -117.85 5.93 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.259 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.8 mmt -92.66 142.27 25.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 -23.72 26.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.854 2.369 . . . . 0.0 112.835 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.23 -8.1 73.84 Favored Glycine 0 C--O 1.238 0.358 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -126.76 150.9 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.168 0.509 . . . . 0.0 111.349 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -117.07 170.9 8.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.809 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.28 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 0.0 111.038 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -61.55 -41.64 97.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -76.93 -40.74 46.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.979 0.419 . . . . 0.0 110.479 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.16 -34.04 76.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.004 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.01 -41.54 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 5.5 t0 -75.12 -44.76 45.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -175.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ptp -73.32 -26.62 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.684 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -63.07 -31.51 72.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -64.69 -46.44 82.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.132 0.492 . . . . 0.0 109.983 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 80' ' ' ILE . 71.8 mt -64.22 -42.3 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.092 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.95 -57.98 5.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.45 -36.61 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.381 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.5 m -64.19 -36.82 85.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 81.7 mmm -75.05 -41.25 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.4 t -57.21 -52.21 59.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.336 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.97 -28.16 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.35 -43.33 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 70.9 mm-40 -58.33 -43.45 88.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.528 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 m -65.93 -33.2 75.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.1 -37.35 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.54 71.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.07 -32.37 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.283 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -85.68 -26.45 25.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.02 51.91 2.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.709 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 31.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 111.254 175.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -84.97 117.5 23.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.388 . . . . 0.0 110.673 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -124.08 152.46 67.04 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.392 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -52.94 -46.89 30.66 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.105 2.536 . . . . 0.0 112.41 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -69.07 -40.8 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.347 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -64.43 -35.39 80.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.216 0.532 . . . . 0.0 110.274 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.19 -39.13 63.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.44 -44.9 89.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.686 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.38 75.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.976 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.9 -34.62 74.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -58.23 -47.44 83.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.879 0.371 . . . . 0.0 110.292 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -42.33 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.832 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.435 ' HB1' ' HE3' ' A' ' 48' ' ' MET . . . -53.27 -45.05 68.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.379 . . . . 0.0 110.781 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.429 ' O ' ' HG2' ' A' ' 77' ' ' MET . 76.3 t80 -65.88 -50.4 64.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.661 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.51 75.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -71.16 -38.18 72.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.808 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 80' ' ' ILE . 32.3 t -65.64 -41.89 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.21 0.529 . . . . 0.0 110.075 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.438 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.5 mmt -61.15 -27.36 68.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.91 0.386 . . . . 0.0 110.395 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -48.21 23.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -69.52 -33.78 73.31 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 76' ' ' SER . 27.3 mt -59.52 -42.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 173.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.57 -48.42 19.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.909 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.21 73.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.564 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.648 ' HB3' ' OD1' ' A' ' 133' ' ' ASN . 42.0 m -78.6 -61.29 2.06 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -122.55 132.38 54.28 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.29 174.53 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.7 -65.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.102 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.13 3.1 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.46 117.67 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 p -66.1 164.15 16.07 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.526 0.33 . . . . 0.0 111.622 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 3.2 tm? -53.23 -51.77 61.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.392 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -63.15 -41.18 99.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.7 m -63.02 -50.75 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.2 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -173.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 m -67.47 -45.16 76.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.13 0.49 . . . . 0.0 110.109 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -65.67 -34.65 78.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.154 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -59.29 -47.16 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.08 -50.93 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.0 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.483 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 t -66.29 -35.21 79.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.9 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.31 -32.18 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.288 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 mmt -60.33 -51.85 67.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.104 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 p -62.51 -30.83 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.767 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.2 t30 -64.0 -45.12 90.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.73 75.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.789 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 61.3 m-85 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.997 0.427 . . . . 0.0 111.247 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.23 -24.09 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.4 mm-40 -84.47 -24.89 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -94.25 -77.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.878 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.9 t -88.14 -35.67 17.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.191 -177.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.09 19.34 12.85 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.378 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.602 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.2 p -148.27 147.81 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.28 124.62 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.64 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 116' ' ' PHE . 62.0 t30 -75.73 98.85 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 52.8 tt0 -58.94 -52.92 71.38 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.764 -170.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 14.7 Cg_endo -57.28 -26.55 70.83 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.108 1.872 . . . . 0.0 112.516 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' ILE . 66.0 t80 -66.27 -49.19 67.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.383 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.55 -33.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.207 0.527 . . . . 0.0 110.304 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.669 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -85.03 -35.08 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.797 0.332 . . . . 0.0 110.361 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.0 mm -61.37 -38.21 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.7 p -64.28 -37.74 88.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.34 -34.99 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.99 -49.43 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.5 t -65.69 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.21 0.528 . . . . 0.0 110.275 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.3 t -76.45 -16.99 59.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.862 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -96.86 -43.53 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.231 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -65.93 -16.93 64.31 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.608 0.242 . . . . 0.0 111.329 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.19 77.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.233 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -83.85 -16.84 43.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.729 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -69.61 0.35 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 53.52 53.07 37.43 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 116.013 -0.54 . . . . 0.0 113.198 177.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 21.42 1.42 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.877 0.846 . . . . 0.0 110.719 -175.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.648 ' OD1' ' HB3' ' A' ' 83' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.66 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' B' ' 15' ' ' LEU . 27.4 Cg_exo -63.59 -8.32 14.9 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.706 2.271 . . . . 0.0 112.463 176.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -125.24 24.44 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.372 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -62.64 -24.57 67.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -174.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.437 ' HB2' HD22 ' B' ' 15' ' ' LEU . 48.1 m-80 -132.88 153.93 81.21 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.32 -28.22 33.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.97 2.446 . . . . 0.0 112.895 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.52 47.87 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' B' ' 9' ' ' PRO . 3.7 mm? -76.06 -34.13 59.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.176 0.512 . . . . 0.0 109.745 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.82 85.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.842 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.05 -33.68 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.59 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -62.3 -35.94 80.58 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.838 0.351 . . . . 0.0 110.644 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.71 -43.06 98.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.331 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.0 mtt -71.68 -44.19 64.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.492 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -57.53 -50.43 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.862 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -64.57 -20.74 66.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.17 -52.5 6.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.014 0.435 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mmm -67.46 -28.87 68.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -71.99 -20.6 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 0.0 111.096 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.58 -28.66 6.23 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.413 HD11 ' CE1' ' B' ' 33' ' ' PHE . 35.7 tp -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 110.759 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.0 p -61.11 -20.59 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 66.2 m -114.4 16.7 17.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.822 0.344 . . . . 0.0 111.536 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.1 mmt -81.39 138.77 48.13 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.535 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.04 -17.46 40.82 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 122.953 2.436 . . . . 0.0 113.323 -174.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -13.44 75.92 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.455 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' B' ' 27' ' ' LEU . 31.8 m-85 -118.02 163.88 15.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.598 -176.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 64.0 p -122.97 151.05 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.572 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.65 -36.4 71.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.646 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -66.12 -26.34 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.658 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' B' ' 84' ' ' GLU . 94.7 mt-30 -88.23 -30.57 19.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.638 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 41' ' ' MET . 6.2 mp -68.84 -18.31 64.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.823 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -29.53 67.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.929 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -86.04 -38.8 17.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 38' ' ' LEU . 11.7 ptm -84.41 -26.43 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.548 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -65.02 -31.88 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 110.527 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -60.68 -41.01 94.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.007 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.436 HD12 HD11 ' B' ' 80' ' ' ILE . 55.7 mt -68.92 -39.09 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.008 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.418 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -51.79 -56.78 11.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.094 0.473 . . . . 0.0 110.171 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.47 -40.14 90.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.641 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -63.31 -37.96 89.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.009 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' B' ' 72' ' ' ALA . 71.0 mmm -72.33 -40.96 67.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.2 t -55.32 -55.08 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.948 175.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -66.69 -33.05 74.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -61.15 -45.9 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 0.0 109.924 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.72 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.976 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 77.3 mm-40 -58.08 -38.8 77.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.137 0.494 . . . . 0.0 110.163 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -66.44 -37.52 85.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.9 -33.55 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.63 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . 0.407 ' HA ' ' OG1' ' B' ' 61' ' ' THR . . . -69.5 -43.86 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.58 76.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.267 0.556 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.69 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.817 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.93 51.17 1.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.954 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 60' ' ' ARG . 0.0 OUTLIER -133.09 25.05 4.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.091 0.472 . . . . 0.0 110.373 174.692 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -92.04 123.06 35.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.218 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.9 m -140.7 154.93 69.49 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.181 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.78 -33.59 71.32 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 112.708 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.81 -53.75 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.529 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.424 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 21.2 mtpp -66.69 -31.22 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.049 -178.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.83 -29.64 64.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.301 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.4 HE22 ' HA ' ' A' ' 133' ' ' ASN . 8.4 tt0 -67.15 -42.83 83.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.102 175.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.71 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.63 -20.27 54.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.283 0.563 . . . . 0.0 109.739 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.29 -50.56 59.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.0 mmm -68.0 -37.12 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.883 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.406 ' HB2' ' HE2' ' B' ' 48' ' ' MET . . . -54.74 -45.81 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.809 0.338 . . . . 0.0 110.495 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.72 -50.73 61.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.23 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.407 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -75.07 -36.87 61.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.455 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.2 t -63.27 -44.97 93.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.105 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.3 mmt -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.363 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.07 -52.03 10.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.013 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.73 -38.87 92.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 76' ' ' SER . 19.8 mt -59.35 -45.92 92.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.459 0.647 . . . . 0.0 109.941 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.82 78.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.533 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.74 74.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.403 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -73.23 -66.2 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.086 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' B' ' 37' ' ' GLN . 8.2 tp10 -91.49 124.21 35.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.993 0.425 . . . . 0.0 111.401 -172.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -83.69 151.48 25.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.43 -135.67 5.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.579 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.47 12.1 59.82 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.394 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.97 19.43 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.696 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.404 ' HB2' ' OG1' ' B' ' 92' ' ' THR . 19.0 m -62.96 158.22 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.808 0.337 . . . . 0.0 111.09 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 2.1 tm? -54.88 -51.15 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.007 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.36 -36.33 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' B' ' 89' ' ' SER . 10.1 m -62.73 -48.65 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.298 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 90' ' ' LEU . 2.0 ptmm? -73.06 -13.57 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.944 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -77.78 -48.73 15.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 109.845 173.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -64.39 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.805 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -55.54 -47.03 76.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.07 -43.74 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.09 75.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.589 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 7.2 t -67.85 -40.18 83.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.427 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -66.52 -37.53 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.158 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.07 -48.45 76.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.455 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.1 m -57.39 -40.24 77.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.917 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 18.6 t30 -56.72 -55.61 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.968 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.93 -38.35 56.1 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.8 m-85 -67.03 -34.22 77.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.091 0.472 . . . . 0.0 111.213 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -74.97 -23.19 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.871 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 76.4 mm-40 -84.38 -28.24 27.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -86.75 -66.25 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 111.645 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.8 t -106.01 -35.99 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.241 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.64 4.33 23.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.223 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.6 p -139.13 150.78 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -107.71 137.3 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.765 0.317 . . . . 0.0 110.743 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -80.69 116.38 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.403 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 47.7 tt0 -57.34 -56.84 29.69 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.321 -174.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 20.5 Cg_endo -60.2 -33.33 94.94 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.81 1.673 . . . . 0.0 112.269 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 120' ' ' ILE . 21.5 t80 -57.66 -55.93 28.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 42.4 mm -60.27 -38.4 77.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.937 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.6 -45.24 87.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 44.1 mm-40 -59.06 -41.56 88.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.526 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.59 HG12 ' O ' ' B' ' 116' ' ' PHE . 38.1 mm -60.89 -46.42 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 67.6 p -63.52 -36.21 83.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.747 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.46 -31.72 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.672 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 119' ' ' GLU . 96.4 mt -61.36 -50.37 73.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 110.384 175.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.37 -35.63 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.284 0.564 . . . . 0.0 110.15 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -76.13 -9.09 58.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.104 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ptm -105.77 -45.34 4.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -63.97 -25.85 68.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.97 77.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.913 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.71 -19.17 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.534 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.79 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 69.01 25.37 75.45 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.163 174.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -79.47 10.3 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.724 0.773 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' B' ' 131' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.098 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.63 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.568 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.9 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 30.5 Cg_endo -64.93 -7.48 15.28 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.359 2.039 . . . . 0.0 112.685 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.451 ' CE3' ' HG2' ' A' ' 9' ' ' PRO . 13.3 p90 -127.64 16.19 6.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.558 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.568 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 15.0 t -75.06 -16.98 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -150.8 150.83 29.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 50.5 Cg_exo -54.0 -37.34 86.17 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.954 2.436 . . . . 0.0 112.483 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.92 47.28 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.809 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.083 0.441 . . . . 0.0 110.728 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.31 98.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.212 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 12.3 pt-20 -79.48 -37.31 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.005 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -66.33 -29.7 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.35 -0.219 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -54.1 -44.49 71.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.191 0.52 . . . . 0.0 110.281 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.7 mtt -70.11 -43.34 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.591 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.612 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 39.3 m-80 -61.25 -52.37 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.919 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -65.92 -24.96 66.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.352 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE2' HD23 ' A' ' 27' ' ' LEU . 67.6 t80 -63.37 -51.37 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.487 176.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.5 mmm -66.25 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.104 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 24.8 mt-30 -62.47 -29.3 70.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.65 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.91 -34.23 6.04 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.478 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD23 ' CE2' ' A' ' 23' ' ' PHE . 39.7 tp -71.96 -27.6 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 111.015 -176.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -63.53 -19.87 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -107.35 18.88 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.9 mmt -103.48 148.01 35.08 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.363 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.13 165.78 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.498 2.132 . . . . 0.0 111.414 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.92 -49.67 1.4 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.9 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.15 130.63 38.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.769 0.318 . . . . 0.0 110.588 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.5 p -91.15 173.45 7.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.296 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.32 67.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 p -93.55 -30.11 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.895 0.855 . . . . 0.0 109.302 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' OE1' HG22 ' A' ' 80' ' ' ILE . 5.5 tp-100 -69.0 -48.87 62.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.258 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.37 -36.78 78.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.145 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -80.19 -42.19 23.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.075 0.464 . . . . 0.0 110.093 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.7 ptm -76.34 -23.36 54.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.784 -176.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -62.02 -24.05 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.637 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' B' ' 65' ' ' LYS . 7.1 m -66.0 -40.86 91.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.132 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.545 ' HA ' ' OG ' ' A' ' 47' ' ' SER . 19.9 mt -65.09 -33.19 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -58.47 -41.05 84.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.797 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.514 HE22 HD23 ' B' ' 55' ' ' LEU . 1.1 pp0? -90.04 -12.1 39.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.303 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.545 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 24.4 p -89.12 -33.84 16.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.3 mmm -70.79 -37.88 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.577 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 45' ' ' ALA . 26.8 m -66.94 -32.68 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.532 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -68.17 -38.56 82.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.572 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m -58.18 -45.47 87.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.01 0.433 . . . . 0.0 110.105 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.86 -49.15 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.865 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.41 -39.15 86.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.83 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -61.23 -39.32 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.198 0.523 . . . . 0.0 110.201 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 67.5 mt -77.52 -35.16 53.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.064 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.18 95.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 0.0 110.69 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -26.84 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -98.61 4.36 48.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.376 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.95 84.27 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.556 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 18.7 mmm180 -100.02 -4.04 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.049 0.452 . . . . 0.0 110.11 -177.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 144.6 38.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.261 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.9 m -152.96 150.46 24.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.954 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.69 -43.43 51.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.017 2.478 . . . . 0.0 112.681 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -66.04 -48.25 71.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HZ2' ' CG ' ' B' ' 40' ' ' ASP . 22.3 ttmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.128 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.41 -39.27 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.603 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.8 tt0 -58.04 -43.36 86.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.645 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.99 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.657 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.3 mt -105.56 -2.83 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.324 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -53.35 8.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.151 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' A' ' 71' ' ' MET . 27.7 mtp -79.67 -24.15 42.0 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.887 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.41 63.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -77.98 -41.19 36.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.442 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.26 84.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 m -78.45 -34.15 47.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' B' ' 72' ' ' ALA . 3.5 p -70.92 -31.4 68.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.727 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.521 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 27.7 mmt -64.49 -35.72 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.17 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.26 -37.33 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.312 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 76.6 tt0 -59.61 -33.27 71.27 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.061 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' OE1' ' A' ' 37' ' ' GLN . 14.2 mt -84.35 -44.34 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.37 90.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.949 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.11 61.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.64 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -81.44 -56.81 3.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 111.275 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -130.22 169.16 15.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.545 0.688 . . . . 0.0 112.363 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 11.0 pt-20 -161.29 -171.18 2.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.593 177.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 -33.68 0.25 Allowed Glycine 0 C--O 1.227 -0.292 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.9 14.42 57.37 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.62 179.09 41.75 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -103.62 -172.6 2.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.228 0.514 . . . . 0.0 110.845 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 59.2 tp -59.32 -38.84 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.044 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -71.55 -36.14 70.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.137 0.494 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -65.75 -50.81 63.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.153 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 85' ' ' GLU . 18.2 ptpt -61.41 -36.9 81.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -67.04 -42.89 84.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 t -63.01 -38.99 93.4 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.036 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.2 m -64.6 -47.64 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.305 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.44 -45.76 89.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.699 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.98 82.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 t -72.86 -25.05 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.294 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.86 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.501 ' SD ' HG13 ' A' ' 120' ' ' ILE . 39.0 mtt -69.79 -44.18 70.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 p -58.89 -38.44 78.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.438 0.637 . . . . 0.0 110.162 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.61 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.1 t30 -62.41 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.036 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.9 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.324 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.578 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 49.0 m-85 -62.69 -38.06 88.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 0.0 110.998 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.74 -24.84 59.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 80.1 mm-40 -76.87 -37.83 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 p -81.75 -78.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.154 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -94.18 -25.36 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.215 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.06 16.43 21.22 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.137 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -154.2 146.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -118.51 137.05 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.032 0.444 . . . . 0.0 111.234 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -88.26 120.45 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.942 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.487 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 35.5 tt0 -64.87 -51.21 58.6 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -174.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.1 Cg_exo -50.07 -41.69 48.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.006 1.804 . . . . 0.0 112.649 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.538 ' O ' HG12 ' A' ' 120' ' ' ILE . 23.6 t80 -53.39 -53.16 55.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.789 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.62 -31.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.871 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -68.41 -47.27 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 0.0 111.362 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.7 mm -60.54 -39.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.554 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.3 p -63.91 -34.37 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.284 0.564 . . . . 0.0 110.477 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -70.94 -38.44 72.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.32 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.24 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.92 -41.77 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.819 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -68.86 -49.91 54.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.132 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -63.88 -40.7 97.15 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -63.41 -35.37 80.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.675 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.19 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.725 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.472 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.6 mt-30 -74.49 -27.42 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.091 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.25 97.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.02 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.13 11.25 70.06 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.142 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -75.98 -3.71 37.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.681 0.753 . . . . 0.0 110.944 -177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.583 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.498 ' O ' HG23 ' B' ' 11' ' ' THR . 1.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.46 -14.18 43.6 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.295 1.997 . . . . 0.0 112.091 176.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 31.9 p90 -120.29 19.02 12.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 8' ' ' THR . 10.3 t -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.698 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.434 ' ND2' HG22 ' B' ' 11' ' ' THR . 11.1 p30 -149.17 152.75 36.76 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.0 -31.31 92.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.85 2.367 . . . . 0.0 112.75 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -44.86 95.44 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.473 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.52 -33.69 62.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.5 -0.412 . . . . 0.0 110.639 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.91 94.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.29 -32.64 62.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.623 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.59 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -58.04 -44.12 87.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtt -76.19 -43.72 41.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.057 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 32.6 m-80 -63.21 -48.84 76.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.4 m -61.98 -29.58 70.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 111.102 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' B' ' 27' ' ' LEU . 81.5 t80 -64.32 -52.24 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -65.19 -34.8 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.373 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 54.7 mt-30 -61.4 -33.52 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.172 0.51 . . . . 0.0 110.977 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.4 -27.26 20.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.401 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' B' ' 23' ' ' PHE . 32.9 tp -75.61 -26.61 57.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.8 p -63.38 -23.29 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.29 0.567 . . . . 0.0 110.655 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -102.69 24.37 10.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 21.9 mmt -114.26 138.89 23.2 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.803 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.66 133.54 11.63 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.425 2.083 . . . . 0.0 110.487 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . 0.52 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 141.64 -32.99 2.0 Favored Glycine 0 N--CA 1.439 -1.124 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.548 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -107.42 149.3 28.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.939 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.446 ' OG1' ' HB2' ' B' ' 37' ' ' GLN . 81.9 p -87.4 169.66 12.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.271 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -11.05 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.954 0.407 . . . . 0.0 111.197 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -97.45 -37.1 10.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.719 0.771 . . . . 0.0 109.036 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.446 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 0.4 OUTLIER -62.62 -51.64 66.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.571 -179.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -38.24 82.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.01 -44.19 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.192 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.421 ' CG ' ' HZ2' ' A' ' 65' ' ' LYS . 7.6 t0 -71.87 -45.93 59.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.52 -176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 14.1 ptm -68.74 -27.42 65.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -33.94 71.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.566 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.5 m -66.58 -41.44 88.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.461 HD11 HD12 ' B' ' 80' ' ' ILE . 36.9 mt -70.53 -34.59 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.999 0.428 . . . . 0.0 110.434 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.1 91.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -12.25 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 48.2 p -87.21 -34.49 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.345 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.8 mmm -63.43 -43.82 96.36 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.274 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.38 -38.54 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.825 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -70.33 -34.94 73.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.816 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -61.81 -45.58 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.54 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.64 -34.82 76.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -66.92 -45.9 76.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.212 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.514 HD23 HE22 ' A' ' 46' ' ' GLN . 70.6 mt -63.18 -38.79 92.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.1 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.36 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.514 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.81 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.498 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 38.05 56.22 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.195 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -104.23 -7.67 19.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.14 140.5 50.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.221 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 m -153.35 161.08 30.04 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.06 -47.81 22.25 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.749 2.299 . . . . 0.0 112.406 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.188 0.518 . . . . 0.0 110.132 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.471 ' HD2' ' HB ' ' A' ' 43' ' ' THR . 2.0 tppt? -59.07 -43.96 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.097 -175.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.08 -36.53 66.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.934 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.98 -45.7 80.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 4.33 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.403 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.21 9.47 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -59.06 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.405 176.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.44 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 22.6 mtp -78.2 -19.02 54.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' SER . . . -55.23 -38.86 69.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.19 0.519 . . . . 0.0 109.949 170.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' B' ' 77' ' ' MET . 84.0 t80 -76.85 -42.67 39.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.251 176.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.92 86.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.751 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.4 m -77.64 -38.39 48.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.526 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.9 p -66.47 -33.55 75.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.2 0.524 . . . . 0.0 110.905 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.502 ' HA ' ' HE3' ' B' ' 77' ' ' MET . 28.9 mmt -71.24 -25.5 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.83 -43.93 34.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -65.89 -28.06 68.67 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.992 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 76' ' ' SER . 18.1 mt -73.82 -47.78 42.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 121.166 0.508 . . . . 0.0 110.251 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.04 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.034 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.14 -14.62 62.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.022 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t -72.59 -62.72 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.581 0.229 . . . . 0.0 111.252 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -120.23 153.35 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.348 0.594 . . . . 0.0 111.764 -175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.08 -165.29 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.09 -58.37 0.56 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.763 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.1 26.52 15.04 Favored Glycine 0 CA--C 1.503 -0.661 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.52 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.72 135.23 2.78 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.083 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 t -83.11 169.47 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.74 -42.93 94.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.895 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.6 t -69.12 -37.7 78.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.878 0.371 . . . . 0.0 110.16 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -54.96 39.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.965 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.486 ' O ' HG13 ' B' ' 97' ' ' ILE . 18.1 ptpt -63.22 -36.69 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.163 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 82.7 m -64.59 -45.82 85.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.993 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -62.99 -40.14 96.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.017 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 68.0 m -63.89 -45.59 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.485 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 93' ' ' LYS . 39.1 mt -57.36 -49.89 78.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.608 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.22 77.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.65 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -60.48 -45.4 93.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.59 84.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.958 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 45.6 mtt -66.4 -45.49 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.349 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.1 p -61.21 -29.56 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.256 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -70.66 -41.99 71.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.35 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.868 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.537 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 38.7 m-85 -63.09 -38.74 92.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.189 0.518 . . . . 0.0 111.208 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.73 -24.03 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.768 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.8 mm-40 -79.72 -34.57 39.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.4 p -83.0 -71.47 0.49 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.366 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.2 t -101.38 -21.03 14.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.408 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.98 5.99 49.54 Favored Glycine 0 CA--C 1.506 -0.477 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.72 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.537 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 14.5 p -141.71 150.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.85 128.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 0.0 111.368 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -73.8 101.53 3.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.969 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.9 tt0 -56.94 -47.01 99.8 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.271 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.482 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 57.7 Cg_exo -54.46 -43.55 57.8 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.862 1.708 . . . . 0.0 112.114 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.464 ' O ' HG12 ' B' ' 120' ' ' ILE . 25.1 t80 -55.11 -53.39 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.627 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.92 -36.96 76.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.115 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -67.44 -38.14 84.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 40.2 mm-40 -64.21 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 110.96 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 116' ' ' PHE . 41.7 mm -62.07 -35.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 72.4 p -63.27 -26.21 68.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.041 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.16 -37.72 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.553 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' B' ' 126' ' ' MET . 97.1 mt -57.64 -50.05 74.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.479 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.64 -31.97 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -83.17 -37.13 24.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.929 -176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.612 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 27.5 ptm -66.33 -46.61 76.26 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.337 -0.227 . . . . 0.0 111.266 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -62.44 -26.14 68.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.28 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.812 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.612 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.9 mt-30 -83.58 -27.66 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.77 -44.84 88.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.73 72.9 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.122 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -76.76 1.91 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.274 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 11' ' ' THR . 1.8 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.29 -15.72 50.03 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.237 1.958 . . . . 0.0 112.217 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -122.0 21.53 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.078 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 8' ' ' THR . 9.2 t -67.9 -20.65 65.12 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.75 157.15 29.54 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.6 Cg_exo -53.73 -32.16 64.42 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.132 2.555 . . . . 0.0 113.199 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.73 -0.89 35.2 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 113.411 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.03 -33.5 3.93 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.626 -0.337 . . . . 0.0 110.299 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.4 91.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.301 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -75.69 -36.66 59.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.858 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.34 -35.92 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.57 -57.66 10.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.022 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.491 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 21.1 ptp -73.1 -28.22 62.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.512 -173.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 21.0 m-80 -67.53 -43.61 80.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.771 0.32 . . . . 0.0 110.466 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -72.49 -23.77 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.38 -50.43 71.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.219 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.4 mmm -64.69 -30.08 71.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.176 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 84.6 mm-40 -59.97 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -22.86 52.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.499 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD11 ' CE1' ' A' ' 33' ' ' PHE . 48.6 tp -77.47 -25.74 50.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.965 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.3 p -73.48 -1.89 20.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -120.82 15.54 11.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 mmt -90.6 129.96 42.96 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.87 -26.64 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.192 2.595 . . . . 0.0 113.454 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.33 -7.75 85.16 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.768 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE1' HD11 ' A' ' 27' ' ' LEU . 14.2 m-85 -106.49 170.46 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.542 0.687 . . . . 0.0 112.488 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.436 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.3 p -116.79 154.4 30.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.919 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.18 66.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.349 . . . . 0.0 111.44 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -74.76 -50.35 17.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -66.27 -32.07 73.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.354 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.7 mt -61.77 -30.97 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.26 -47.26 71.23 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.261 0.553 . . . . 0.0 110.239 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.43 -50.75 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.254 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.522 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 11.3 ptm -71.37 -26.52 62.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.595 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -64.54 -32.18 73.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.283 0.563 . . . . 0.0 109.731 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.8 m -67.89 -39.32 83.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.486 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.95 -38.71 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.41 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.2 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.369 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 HE22 HD22 ' B' ' 55' ' ' LEU . 0.8 OUTLIER -80.74 -5.2 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 0.0 111.659 -178.245 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.3 m -86.6 -38.42 17.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.491 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 86.4 mmm -67.08 -40.26 86.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.0 -32.12 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.71 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.37 -37.8 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -67.85 -41.6 82.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.489 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.37 -48.35 88.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -60.07 -43.22 95.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.44 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 m -63.1 -44.97 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.835 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.94 -34.03 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.893 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.83 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.66 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.186 0.517 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -83.44 -14.48 52.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.115 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.64 30.18 60.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.313 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -107.22 10.39 29.94 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.026 0.441 . . . . 0.0 110.587 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -80.31 135.07 36.14 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.527 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -132.47 156.02 80.58 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.89 -27.28 52.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.748 2.299 . . . . 0.0 111.69 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.62 -60.9 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.432 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.86 -30.31 66.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.631 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.31 -34.23 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 110.004 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.552 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.6 tt0 -80.37 -42.41 22.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.47 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -58.18 -38.09 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.227 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.97 -0.91 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.96 -44.82 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 170.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' HE1' ' B' ' 132' ' ' MET . 94.7 mmm -73.27 -40.11 64.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.155 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB3' ' HE3' ' A' ' 48' ' ' MET . . . -55.27 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.715 175.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.518 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.6 t80 -78.64 -48.08 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.405 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.48 -33.43 69.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.976 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -78.05 -39.01 43.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.748 -175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 6.3 p -70.44 -29.26 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 41' ' ' MET . 29.1 mmt -69.06 -37.71 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.7 98.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.164 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 76' ' ' SER . 20.6 tt0 -54.29 -62.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.724 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.13 -36.16 55.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.571 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.85 20.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.62 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.54 63.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.353 -175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -63.84 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.66 132.16 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 111.72 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.65 -22.64 12.43 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.332 -171.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.85 46.85 0.22 Allowed Glycine 0 C--N 1.298 -1.556 0 CA-C-N 113.348 -1.751 . . . . 0.0 115.289 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.99 -53.0 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.91 -170.66 22.14 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 43.2 t -65.26 160.74 20.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.09 -36.72 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.686 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.0 m -64.41 -53.5 47.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.94 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 89' ' ' SER . 14.8 ptmt -61.78 -37.4 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -68.33 -45.62 72.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.075 0.464 . . . . 0.0 110.917 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -70.14 -23.43 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.7 m -61.08 -43.92 98.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.9 mt -67.35 -45.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.177 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.97 -44.27 82.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.515 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.11 77.31 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.354 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 mmt -65.4 -44.83 86.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -59.44 -38.95 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.031 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.82 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.552 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.615 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 47.1 m-85 -66.4 -31.73 72.67 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.085 0.469 . . . . 0.0 111.128 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.58 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.4 mm-40 -94.03 -14.64 25.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.947 0.403 . . . . 0.0 110.857 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 p -107.81 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.889 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.1 t -95.94 -31.97 12.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.387 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.16 15.73 22.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.615 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.7 p -150.85 148.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.9 t -97.0 132.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.156 -175.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -83.83 100.97 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.427 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 47.4 tt0 -61.69 -47.22 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.427 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 81.9 Cg_exo -48.3 -47.33 20.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.012 1.808 . . . . 0.0 112.398 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.2 t80 -51.87 -48.6 63.98 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.322 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.03 -30.18 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -82.1 -14.11 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.476 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.53 -34.96 19.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.894 0.378 . . . . 0.0 110.663 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.1 mm -62.93 -36.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.117 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 p -62.11 -35.31 78.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.011 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -70.08 -37.65 75.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.6 -50.72 71.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.001 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -70.68 -25.21 62.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.738 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.1 ptm -90.34 -40.76 11.91 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.602 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.95 -17.87 64.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 111.551 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.07 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.679 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -78.16 -26.01 47.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.388 . . . . 0.0 110.868 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.883 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 60.72 47.21 92.35 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.3 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -78.0 8.75 4.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.59 0.71 . . . . 0.0 111.216 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.58 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.428 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.89 -9.21 18.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.379 2.053 . . . . 0.0 112.453 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -129.45 22.51 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -70.06 -17.3 63.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.075 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -148.34 155.82 42.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.999 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.507 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 54.1 Cg_exo -55.43 -35.86 92.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.11 -52.85 44.19 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.341 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.41 -33.55 65.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.961 0.381 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.82 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 10.9 pt-20 -75.24 -38.85 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.298 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -56.39 -35.65 67.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.457 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -55.51 -56.84 15.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.01 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.443 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 19.8 ptp -73.3 -27.44 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 19.0 m-80 -65.83 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.517 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 m -72.24 -30.6 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.417 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 65.9 t80 -58.98 -49.73 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 78.3 mmm -61.5 -32.42 72.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.348 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 72.5 mm-40 -62.64 -43.61 98.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.19 -31.86 41.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.77 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' B' ' 33' ' ' PHE . 48.0 tp -76.19 -19.66 58.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.702 -0.293 . . . . 0.0 111.377 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -61.28 -13.22 17.24 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -138.78 37.11 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 111.364 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.14 138.62 27.3 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.497 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.91 -25.69 67.12 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.4 2.734 . . . . 0.0 113.447 -173.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.46 2.2 88.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' B' ' 27' ' ' LEU . 28.2 m-85 -122.5 169.66 10.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -131.44 161.45 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.303 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -36.41 75.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.5 t -58.51 -42.82 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.27 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -74.18 -46.71 40.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.478 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' B' ' 33' ' ' PHE . 4.4 mm? -58.91 -40.32 84.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.588 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.56 -37.34 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.751 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -92.76 -37.74 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.203 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 18.8 ptm -70.29 -22.98 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.2 t -64.32 -27.32 68.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.052 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 30.4 m -72.61 -32.05 65.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.846 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mt -66.8 -38.9 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.29 -57.43 6.83 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.277 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -74.29 -5.82 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 -176.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -87.26 -35.93 18.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.56 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.443 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 83.5 mmm -69.07 -35.75 76.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -64.94 -29.71 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.476 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.45 -38.36 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.444 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -59.13 -47.66 84.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.229 0.537 . . . . 0.0 109.955 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.38 -51.9 67.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.31 -38.99 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.1 m -64.6 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.425 HD22 HE22 ' A' ' 46' ' ' GLN . 85.8 mt -69.09 -36.16 77.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.71 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -42.34 82.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.4 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -96.1 -0.52 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.18 39.66 92.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.81 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -117.72 9.98 13.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -85.84 140.24 30.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.307 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 87.4 p -143.57 156.85 59.84 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.12 -30.08 69.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 111.874 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.63 -55.0 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.82 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -75.06 -21.58 58.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.42 -41.26 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.6 tt0 -63.5 -45.28 91.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.762 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.65 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.146 0.498 . . . . 0.0 111.278 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -9.11 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.566 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -77.58 -44.43 28.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.0 -38.7 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.358 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.71 -32.77 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.112 0.482 . . . . 0.0 111.256 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.405 ' N ' ' HE2' ' B' ' 48' ' ' MET . 72.6 t80 -76.42 -44.63 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.073 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.37 77.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -75.13 -37.64 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.186 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.582 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 3.8 t -69.5 -31.01 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.464 0.649 . . . . 0.0 110.445 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.5 mmt -76.01 -17.84 59.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.167 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.32 -38.02 31.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.95 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.7 pt-20 -67.53 -44.68 77.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.53 -38.06 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.306 0.574 . . . . 0.0 110.282 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.41 -53.32 19.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.971 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.08 -37.67 61.87 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -62.76 -73.71 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.573 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.67 131.51 35.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.515 ' HA ' ' HZ1' ' B' ' 93' ' ' LYS . 10.9 pt-20 -83.1 -31.39 27.3 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.086 0.946 . . . . 0.0 110.781 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.08 -119.35 15.65 Favored Glycine 0 C--N 1.296 -1.684 0 CA-C-N 113.459 -1.7 . . . . 0.0 112.479 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.02 18.22 19.13 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.491 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.37 163.85 21.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.574 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 17.1 t -81.35 172.66 13.31 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.47 -39.89 89.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -69.78 -35.25 74.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.102 0.477 . . . . 0.0 110.55 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -64.75 -53.14 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.098 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.515 ' HZ1' ' HA ' ' B' ' 85' ' ' GLU . 19.4 ptmt -63.96 -41.4 97.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.44 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 62.8 m -62.18 -45.51 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.611 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -70.15 -25.1 63.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.2 m -62.63 -44.03 97.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.612 0.244 . . . . 0.0 111.204 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.08 -46.18 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.2 71.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.116 0.484 . . . . 0.0 110.774 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 73.4 m -60.0 -55.14 37.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.291 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.751 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.11 -44.48 92.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 25.3 m -58.39 -39.58 80.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.941 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.4 t30 -65.86 -43.57 88.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.132 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.39 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.696 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.545 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.9 m-85 -68.41 -35.32 77.48 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.276 0.56 . . . . 0.0 110.949 177.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 102' ' ' SER . 96.5 mt -71.46 -24.93 62.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.721 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 72.4 mm-40 -83.62 -31.25 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.931 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.89 -71.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.677 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.6 t -98.42 -30.93 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.304 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.63 8.41 24.64 Favored Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.3 -0.953 . . . . 0.0 111.62 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.545 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.1 p -147.59 149.31 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' B' ' 105' ' ' PHE . 2.0 p -108.24 129.76 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.415 0.626 . . . . 0.0 111.918 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.458 ' O ' HG12 ' B' ' 117' ' ' ILE . 26.3 t-20 -79.1 122.15 25.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.222 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 97.9 mt-30 -70.39 -53.48 10.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -173.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 3.0 Cg_endo -45.32 -50.74 8.71 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.256 1.971 . . . . 0.0 112.707 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 38.0 t80 -50.13 -51.77 40.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.655 0.597 . . . . 0.0 111.159 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 113' ' ' ASN . 33.2 mm -63.34 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.15 -4.57 53.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.463 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -93.8 -31.81 14.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 110.62 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 116' ' ' PHE . 27.1 mm -64.65 -31.82 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 12.1 p -61.23 -29.06 69.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.328 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.01 -33.73 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.637 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.11 -55.14 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.354 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -30.05 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.0 0.429 . . . . 0.0 111.231 -176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 13.2 t -75.66 -37.45 59.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.48 -37.07 63.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -70.78 -15.79 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.37 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.499 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.82 -29.88 61.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.588 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.88 -66.83 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.593 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.94 43.06 99.7 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.829 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' MET . . . . . 0.418 ' HE1' ' SD ' ' A' ' 71' ' ' MET . 1.9 ppp? -72.87 0.53 10.83 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.552 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.314 -0.959 0 CA-C-O 121.8 0.81 . . . . 0.0 109.775 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 11' ' ' THR . 21.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.8 0.53 6.28 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.382 2.054 . . . . 0.0 112.694 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -126.75 20.69 7.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.717 0.294 . . . . 0.0 111.397 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 8' ' ' THR . 7.2 t -70.28 -32.35 70.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.192 0.52 . . . . 0.0 110.671 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.403 ' ND2' HG21 ' A' ' 11' ' ' THR . 11.9 p30 -143.83 153.61 57.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.642 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 73.6 Cg_exo -52.78 -33.53 60.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.084 2.522 . . . . 0.0 112.773 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -48.25 87.12 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.804 -177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.45 -31.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.664 -0.315 . . . . 0.0 110.556 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -71.29 -36.62 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.706 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.95 -40.74 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -54.13 -45.05 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.718 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.34 -42.52 71.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.529 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -63.29 -41.37 98.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.985 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.512 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 43.5 m -75.51 -10.37 59.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.321 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -91.99 -51.54 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.284 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 41' ' ' MET . 86.9 mmm -59.36 -38.67 81.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 8.4 pt20 -60.34 -36.78 78.79 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.38 -42.15 12.29 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.05 -31.82 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.27 . . . . 0.0 111.051 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -72.4 -2.86 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.028 0.442 . . . . 0.0 110.666 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -116.54 12.95 15.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -100.62 155.53 36.25 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.698 -177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.14 161.27 35.59 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.367 2.045 . . . . 0.0 111.409 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.511 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 92.8 -41.84 2.7 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.254 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 79.1 m-85 -93.33 156.09 17.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -130.46 167.38 18.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.617 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.1 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -69.68 -43.92 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.652 0.263 . . . . 0.0 110.712 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -70.59 -36.9 73.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 111.009 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 3.1 mm? -60.56 -36.97 79.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.58 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.19 -42.12 94.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.56 -37.48 73.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 0.0 110.176 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.428 ' HG3' ' HE3' ' A' ' 24' ' ' MET . 13.8 ptm -83.93 -28.27 27.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.358 -176.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -67.1 -29.08 68.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -39.66 90.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.434 HD11 HD12 ' A' ' 80' ' ' ILE . 59.2 mt -72.11 -39.56 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.146 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.76 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -15.72 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.419 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -78.81 -39.44 35.62 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.8 mmm -60.99 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.642 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 m -61.83 -36.94 76.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.069 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.8 -29.33 55.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.871 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -66.5 -46.85 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.853 0.358 . . . . 0.0 110.109 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 66.3 mt -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -32.18 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.457 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -70.27 -33.46 71.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.586 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD23 ' HG3' ' A' ' 60' ' ' ARG . 95.7 mt -68.37 -34.45 76.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 109.98 175.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.72 76.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.804 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.24 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.617 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.54 -38.84 74.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.921 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.21 5.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.439 ' HG3' HD23 ' A' ' 55' ' ' LEU . 2.6 ptm180 -119.08 21.03 12.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.202 0.525 . . . . 0.0 110.626 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.0 128.47 33.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.933 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 m -130.08 149.42 73.17 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.84 -28.76 59.78 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.617 2.211 . . . . 0.0 111.318 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.48 -58.98 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.887 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 30.3 mtmm -71.22 -27.51 63.53 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.619 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.8 -31.7 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.281 0.563 . . . . 0.0 109.78 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.85 -39.71 21.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.065 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -73.15 -3.68 28.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.027 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -115.11 13.14 16.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.494 0.664 . . . . 0.0 109.545 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -101.11 -48.91 4.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.942 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.588 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 93.6 mmm -74.37 -33.3 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.457 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.95 63.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.364 0.602 . . . . 0.0 110.994 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -68.71 -48.35 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.47 86.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.719 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 p -71.81 -45.23 62.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.957 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -59.38 -43.03 92.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.521 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 28.9 mmt -70.76 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.61 -46.08 23.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.624 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -70.96 -34.67 71.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.42 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.434 HD12 HD11 ' A' ' 44' ' ' ILE . 16.7 mt -59.1 -44.59 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.245 0.545 . . . . 0.0 109.95 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.14 79.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.997 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.45 71.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.764 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.3 m -81.42 -57.79 3.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.846 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -120.04 161.41 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.425 0.631 . . . . 0.0 111.684 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' HB3' ' HZ2' ' A' ' 93' ' ' LYS . 19.4 pt-20 -140.69 156.97 46.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.341 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.46 -13.31 38.79 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.433 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.28 -39.84 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.472 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.511 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -78.01 151.25 36.83 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.196 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -71.39 171.25 11.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 50.0 tp -58.95 -42.41 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.228 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -57.37 -41.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.185 0.516 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -64.24 -48.36 76.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.547 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.472 ' NZ ' ' HA ' ' A' ' 90' ' ' LEU . 36.0 mtmm -60.51 -47.95 83.92 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.006 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.3 m -55.04 -47.12 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.072 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 m -67.44 -38.63 84.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -57.51 -45.33 85.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.049 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 101' ' ' MET . 66.3 mt -65.44 -50.28 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.28 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.266 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -61.11 -45.54 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.527 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.23 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.018 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.9 mmt -61.94 -45.9 91.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.216 0.532 . . . . 0.0 110.049 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 p -73.11 -1.66 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.578 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.7 OUTLIER -115.16 -25.29 8.14 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.508 174.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.29 81.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.548 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.555 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 32.4 m-85 -61.1 -34.2 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.483 0.659 . . . . 0.0 110.54 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.456 HD11 ' N ' ' A' ' 106' ' ' LEU . 5.9 mp -78.06 -19.28 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.319 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 27.5 mm-40 -78.84 -30.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -94.88 -77.52 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.007 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 t -86.24 -28.05 24.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.56 9.0 51.43 Favored Glycine 0 CA--C 1.506 -0.529 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.321 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.555 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.1 p -146.6 148.08 17.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.198 -0.501 . . . . 0.0 109.685 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -124.15 140.25 48.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.79 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.601 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 14.8 t-20 -97.52 118.15 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.502 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 34.2 tt0 -61.04 -51.27 80.25 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -171.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.601 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 70.4 Cg_exo -52.27 -37.6 70.98 Favored 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.119 1.879 . . . . 0.0 112.658 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.583 ' O ' HG12 ' A' ' 120' ' ' ILE . 17.6 t80 -55.61 -49.81 71.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.14 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.24 -31.94 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.671 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.74 -49.57 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.217 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' B' ' 130' ' ' ALA . 0.5 OUTLIER -60.9 -32.41 71.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.672 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 116' ' ' PHE . 44.1 mm -61.74 -43.11 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.528 0.204 . . . . 0.0 111.242 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -62.94 -31.01 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.32 0.581 . . . . 0.0 110.782 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.74 -34.29 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 126' ' ' MET . 95.6 mt -60.71 -50.31 73.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 t -59.29 -38.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.7 t -73.38 -47.15 44.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 28.3 ptm -59.74 -40.88 89.59 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -173.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.54 -27.28 66.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.629 0.252 . . . . 0.0 111.243 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.0 66.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.412 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.37 -23.87 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.754 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.91 -49.58 8.37 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.363 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.11 88.41 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.246 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -82.46 9.77 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.855 0.836 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.749 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.409 0.147 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.23 -21.7 72.25 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.531 2.154 . . . . 0.0 112.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -105.31 18.6 22.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -69.58 -23.38 63.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -139.99 148.48 55.09 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.83 -35.02 87.4 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.349 2.699 . . . . 0.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.2 20.95 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.542 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.51 -32.79 74.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.589 0.233 . . . . 0.0 110.683 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.39 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.564 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.7 -31.7 52.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.334 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.88 -38.05 84.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.5 -45.15 77.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.28 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mtt -67.74 -36.01 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.069 0.461 . . . . 0.0 110.352 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -61.49 -51.11 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.738 177.511 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.9 m -63.28 -38.58 91.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.31 -51.16 70.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.356 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -62.03 -36.65 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.377 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 51.9 mt-30 -62.99 -43.32 99.11 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.178 0.513 . . . . 0.0 110.203 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -69.47 -43.62 68.41 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.217 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 t -73.66 7.72 2.29 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.086 0.469 . . . . 0.0 110.565 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -127.55 20.25 6.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.911 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 25.0 mmt -107.79 151.82 41.31 Favored Pre-proline 0 N--CA 1.456 -0.16 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.62 -177.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.82 167.22 22.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 111.796 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.68 -42.6 3.17 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.684 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -81.84 142.63 32.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.072 0.463 . . . . 0.0 111.225 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -99.17 151.47 20.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.24 70.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.832 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.48 -40.61 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.7 -36.15 71.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.3 -28.72 67.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.304 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.26 -43.61 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.496 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -72.11 -21.65 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.929 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -60.98 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.492 ' HB ' ' HD3' ' A' ' 65' ' ' LYS . 5.7 m -66.92 -38.84 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.679 0.276 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mt -68.46 -31.96 53.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.203 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.22 97.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.935 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 -12.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.1 p -89.41 -33.11 16.96 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.537 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.495 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 74.5 mmm -66.7 -43.38 84.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.645 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.86 -40.97 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -64.26 -38.46 91.13 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.972 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 50.5 m -60.24 -49.61 76.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.53 -52.4 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.466 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.9 -34.7 77.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.58 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.5 m -72.74 -37.26 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 110.532 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 51' ' ' SER . 88.9 mt -65.01 -34.17 77.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.67 64.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.0 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.14 92.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -24.25 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.249 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 54.12 2.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.412 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 29.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 127.11 33.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.978 0.418 . . . . 0.0 110.936 176.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 m -124.6 155.08 69.9 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.83 -39.25 90.85 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.737 2.291 . . . . 0.0 111.84 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.84 -56.12 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.48 -30.76 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 mt -69.29 -36.01 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 110.347 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -73.84 -42.58 60.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.083 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.624 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -60.5 -41.96 95.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.267 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.02 3.93 21.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.202 0.525 . . . . 0.0 110.346 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.4 -48.43 6.66 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.468 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 87.8 mmm -71.69 -36.09 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.712 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.52 -52.88 43.24 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.139 0.275 . . . . 0.0 111.082 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.495 ' N ' ' HE2' ' B' ' 48' ' ' MET . 75.5 t80 -57.07 -46.14 82.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.994 0.426 . . . . 0.0 110.689 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.43 91.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.205 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -72.76 -38.05 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.522 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.496 ' O ' HG13 ' B' ' 80' ' ' ILE . 18.3 m -62.61 -38.05 88.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.151 0.501 . . . . 0.0 110.802 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.51 ' HA ' ' HE3' ' B' ' 77' ' ' MET . 28.8 mmt -72.78 -24.8 60.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.038 0.447 . . . . 0.0 110.438 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.28 37.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.806 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.588 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 9.3 pt-20 -64.55 -37.46 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 76' ' ' SER . 21.8 mt -62.49 -40.39 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.8 57.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.505 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.95 82.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.987 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -71.08 -56.78 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.0 120.13 41.23 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.827 0.822 . . . . 0.0 111.22 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' B' ' 93' ' ' LYS . 9.4 tp10 -76.58 158.28 31.29 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.587 175.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.71 -40.39 0.5 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.201 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.89 -35.88 0.37 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.102 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.58 151.33 23.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.224 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 m -57.16 150.77 16.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.748 0.274 . . . . 0.0 110.671 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.34 -43.61 88.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.457 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m -56.09 -34.65 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -67.97 -50.03 58.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' B' ' 85' ' ' GLU . 36.7 mtmm -60.18 -46.86 88.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.148 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -53.93 -42.19 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -70.91 -37.89 72.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.4 m -60.04 -44.14 94.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' B' ' 101' ' ' MET . 56.2 mt -64.68 -48.19 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.595 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.55 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 18.5 t -60.48 -46.99 88.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.604 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -64.93 -32.52 74.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.36 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.1 mmt -65.56 -49.21 69.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.086 0.47 . . . . 0.0 110.187 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 8.4 p -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -175.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.604 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.2 p-10 -79.77 -24.53 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.365 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.75 73.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.142 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -63.6 -32.37 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.335 0.588 . . . . 0.0 110.399 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.62 -12.27 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.959 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -92.02 -33.45 14.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.442 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -89.19 -70.31 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.928 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 13.2 p -84.88 -37.8 20.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.055 0.455 . . . . 0.0 111.052 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.62 -0.34 34.45 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -142.34 149.65 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -106.46 124.39 61.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.337 0.589 . . . . 0.0 111.559 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' B' ' 116' ' ' PHE . 10.6 t30 -74.34 101.31 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.045 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 33.0 tt0 -56.81 -49.76 91.98 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -173.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 13.5 Cg_endo -58.34 -7.75 4.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.497 2.131 . . . . 0.0 113.572 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.653 ' O ' HG12 ' B' ' 120' ' ' ILE . 56.7 t80 -84.89 -46.24 11.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.0 mm -66.47 -37.83 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.051 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.32 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.064 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' B' ' 122' ' ' GLN . 0.3 OUTLIER -69.62 -31.13 69.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.488 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.653 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.8 mm -62.44 -45.09 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.488 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 41.5 p -60.64 -35.52 76.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 0.0 110.824 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' B' ' 119' ' ' GLU . 14.9 mt-30 -70.07 -41.25 74.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.559 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.9 -56.33 23.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.305 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.37 -34.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 25.1 m -76.5 -56.5 4.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.359 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -56.25 -33.79 65.77 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.83 -20.51 66.27 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.11 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.236 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.88 -24.41 41.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.048 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 119' ' ' GLU . . . -61.31 -51.58 68.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.29 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 65.86 27.89 73.16 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.962 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -85.26 20.49 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.925 0.869 . . . . 0.0 110.552 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' B' ' 131' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.967 0 CA-C-N 113.958 -1.473 . . . . 0.0 109.566 -178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 11' ' ' THR . 10.4 p . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.66 -12.41 31.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.511 2.141 . . . . 0.0 112.583 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -121.21 17.56 11.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 8' ' ' THR . 14.8 t -85.45 -14.59 45.65 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.58 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -137.15 136.5 20.97 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.229 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 69.7 Cg_exo -52.66 -41.6 67.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.371 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.78 78.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.386 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.69 -39.8 94.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.595 -0.356 . . . . 0.0 110.641 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.04 90.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.245 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.7 pt-20 -74.98 -28.68 60.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.711 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.524 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 60.8 m-20 -69.36 -32.38 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.051 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.74 -33.23 66.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.6 mmt -69.08 -53.44 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.524 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 12.1 p30 -73.7 -26.23 60.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -176.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 m -72.08 -19.26 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 110.359 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -84.29 -52.49 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.918 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.7 mmm -60.3 -34.94 74.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.327 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.39 -27.91 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.692 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -35.91 9.94 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.91 -32.38 73.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -66.06 -13.48 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -96.69 1.22 50.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.261 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -97.86 140.14 21.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.143 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.74 -27.5 18.09 Favored 'Trans proline' 0 N--CA 1.471 0.156 0 C-N-CA 122.88 2.387 . . . . 0.0 113.059 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.56 73.03 Favored Glycine 0 CA--C 1.517 0.171 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.21 -172.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -106.97 141.31 38.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.29 0.567 . . . . 0.0 111.801 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.4 p -102.98 173.42 6.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.17 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.51 74.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -60.13 -46.46 89.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.408 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.79 -45.42 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.671 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.03 -39.63 94.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.968 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.6 -46.57 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 109.786 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.4 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 9.5 ptm -78.21 -24.89 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.167 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -64.98 -21.4 66.84 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 m -63.73 -43.69 95.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.0 mt -75.92 -34.06 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.227 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.98 61.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' HG21 ' A' ' 49' ' ' VAL . 2.1 pt20 -80.15 -21.79 42.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.074 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.7 t -65.06 -42.78 93.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 52' ' ' ILE . 89.3 mmm -62.8 -47.78 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.723 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 46' ' ' GLN . 14.8 m -63.94 -38.21 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.46 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -71.49 -33.84 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -66.91 -42.17 85.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.975 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 48' ' ' MET . 77.0 mt -57.43 -50.08 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.035 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.612 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.14 -36.64 82.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.417 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -66.59 -34.84 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.976 0.417 . . . . 0.0 110.577 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.84 -33.83 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.806 0.336 . . . . 0.0 110.376 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.25 84.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.184 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.12 77.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.252 0.548 . . . . 0.0 110.731 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.53 -17.57 56.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.27 29.61 52.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.248 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -113.06 21.9 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.482 0.658 . . . . 0.0 110.484 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -92.95 118.24 30.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.898 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 m -118.03 162.37 29.87 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.35 -44.51 48.37 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.302 2.001 . . . . 0.0 111.852 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -73.02 -25.78 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.894 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 8.9 tppt? -69.79 -47.73 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 0.0 109.685 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 mt -68.39 -36.78 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.742 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.498 ' NE2' ' HA ' ' B' ' 133' ' ' ASN . 34.1 tt0 -54.93 -49.38 71.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.754 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.628 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -59.98 -35.84 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.298 0.57 . . . . 0.0 110.689 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.08 -4.92 46.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.448 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -84.87 -47.42 10.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.345 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.497 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 92.6 mmm -79.19 -30.15 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' B' ' 76' ' ' SER . . . -60.01 -34.83 73.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.88 171.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -72.07 -44.36 63.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.936 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 120' ' ' ILE . . . -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -66.32 -51.21 59.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.65 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.6 p -61.4 -39.31 90.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.974 0.416 . . . . 0.0 111.282 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.516 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 29.2 mmt -69.34 -30.75 68.85 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.449 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.58 -44.58 50.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 7.7 pt-20 -67.53 -32.71 73.69 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.379 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 76' ' ' SER . 17.1 mt -67.74 -48.38 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.974 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.01 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.832 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.487 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -75.68 -77.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.231 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 170.4 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 111.87 -173.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.61 -154.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.266 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.0 -26.49 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.76 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.83 -1.04 42.49 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.984 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 180.0 179.13 48.8 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.056 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.6 m -85.57 -175.72 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.577 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.506 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 50.9 tp -54.0 -42.54 69.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -70.32 -37.61 74.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.088 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -63.67 -53.53 49.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.324 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.3 pttt -68.41 -31.14 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 m -67.64 -47.53 69.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.638 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 m -65.76 -28.73 69.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -61.99 -43.94 97.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.619 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.98 -42.41 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.99 81.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.729 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -68.12 -42.06 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.63 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.62 -36.39 83.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 mmt -64.77 -35.37 80.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.029 0.442 . . . . 0.0 110.031 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -67.28 -51.85 47.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.835 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.63 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.5 p-10 -66.71 -27.84 67.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.007 -173.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.18 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.483 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.542 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 18.1 m-85 -71.01 -35.16 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 110.85 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mp -74.35 -16.93 60.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 74.8 mm-40 -89.14 -27.35 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.601 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -96.99 -32.12 12.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.921 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.43 25.97 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.718 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.7 p -155.75 153.76 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.615 0.245 . . . . 0.0 110.371 -177.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.8 p -121.71 137.39 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -75.74 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 50.1 tt0 -179.58 -57.96 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 119.308 -0.377 . . . . 0.0 111.5 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 26.9 Cg_exo -60.98 -26.71 83.64 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 121.947 1.765 . . . . 0.0 112.585 -170.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.505 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.07 -43.17 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 109.751 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.7 mm -70.65 -30.98 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 115' ' ' PRO . 16.8 m120 -62.55 -46.05 90.15 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.6 mm-40 -60.0 -41.38 91.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.0 mm -59.1 -44.45 91.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.0 p -67.35 -28.41 67.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.08 -41.49 64.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.305 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -60.09 -53.7 54.67 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.86 -35.79 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.248 0.546 . . . . 0.0 110.595 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -70.53 -47.89 58.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.291 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ptm -66.92 -39.0 87.25 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.55 -23.08 67.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 111.272 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.32 98.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.08 -29.15 43.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.792 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.54 69.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.799 175.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.35 23.79 64.89 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.247 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -82.39 4.03 25.65 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.064 0.935 . . . . 0.0 110.328 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.423 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.123 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.349 0.119 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.86 -15.36 46.92 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.478 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -116.77 22.85 12.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.676 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -68.26 -27.1 66.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.477 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -145.97 153.63 49.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.74 -35.0 67.24 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.09 2.527 . . . . 0.0 113.042 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.19 -51.25 60.32 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.794 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.6 -32.29 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.504 -0.409 . . . . 0.0 110.637 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.95 77.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.224 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.41 -27.26 63.18 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 110.828 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.415 ' HA ' HD22 ' B' ' 21' ' ' ASN . 43.4 m-20 -65.68 -38.71 90.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.96 -38.15 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.66 -56.07 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.415 HD22 ' HA ' ' B' ' 18' ' ' ASN . 10.4 p30 -72.67 -29.78 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.243 -174.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.425 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 35.6 t -68.7 -25.9 65.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.399 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -75.23 -51.38 13.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.958 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.4 mmm -61.57 -36.16 79.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.142 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -71.42 -27.13 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.41 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.21 -35.8 14.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.36 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.41 -29.08 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.644 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' B' ' 38' ' ' LEU . 20.4 t -69.51 3.96 2.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.903 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -119.99 9.07 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.355 0.598 . . . . 0.0 109.93 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -95.85 141.01 22.57 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.3 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.83 -23.81 30.06 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.677 2.251 . . . . 0.0 112.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.94 70.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.21 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -126.16 133.31 51.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.0 0.428 . . . . 0.0 111.02 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -99.06 170.27 8.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.33 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.338 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -73.89 -37.53 64.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -74.86 -40.59 60.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.436 0.636 . . . . 0.0 110.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' B' ' 28' ' ' SER . 76.8 mt -65.49 -24.62 67.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.436 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -35.86 81.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.821 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.48 -42.0 13.11 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.803 -174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 12.4 ptm -71.14 -22.85 62.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -64.79 -12.41 47.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.2 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.5 m -74.88 -17.65 60.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.672 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 50.9 mt -96.36 -26.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.4 0.619 . . . . 0.0 109.923 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.21 -56.3 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.345 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.26 0.16 45.14 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 5.5 p -86.89 -42.14 13.45 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.294 173.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mmm -59.04 -38.56 79.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -66.2 -34.32 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -74.69 -36.06 62.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.494 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -61.46 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.09 -48.35 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.771 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.88 -37.42 79.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.258 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -34.32 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.74 -36.13 73.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 110.46 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -39.14 70.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.034 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.5 -29.22 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . 0.403 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 49.8 mt-30 -87.75 -31.45 19.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.317 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.6 31.69 5.4 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.583 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.403 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -112.85 17.54 18.9 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.133 0.492 . . . . 0.0 110.566 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.21 123.12 25.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.121 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 37.8 p -138.57 164.72 37.99 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 11.2 Cg_endo -53.34 -36.35 78.36 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.162 1.908 . . . . 0.0 111.849 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.83 -42.41 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -61.3 -44.77 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.834 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.17 -39.43 78.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 34.5 tt0 -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.145 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.69 0.18 9.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.826 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -111.65 11.6 21.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.171 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -54.21 4.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.325 176.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.504 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 91.7 mmm -75.97 -29.6 58.31 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.21 61.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.89 0.376 . . . . 0.0 111.186 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -83.19 -44.81 14.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' B' ' 120' ' ' ILE . . . -60.95 -37.78 83.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -77.56 -35.0 53.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.596 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.5 p -71.53 -33.02 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 0.0 110.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.528 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -71.26 -25.75 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 -43.9 50.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.068 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.628 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 14.9 pt-20 -66.06 -39.85 90.43 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 76' ' ' SER . 20.3 mt -61.46 -39.98 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.491 0.662 . . . . 0.0 109.285 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.505 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -72.0 -40.65 68.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.311 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.08 38.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.921 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -105.41 -68.08 0.88 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 110.793 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.91 163.85 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.326 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.612 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 7.9 pt-20 -155.68 164.77 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.067 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -99.02 2.16 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.114 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.03 11.05 29.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.096 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.41 142.83 14.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.9 m -78.72 -172.38 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.238 0.215 . . . . 0.0 111.124 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.539 ' HA ' ' CD ' ' B' ' 93' ' ' LYS . 49.0 tp -56.97 -35.09 68.75 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.738 0.304 . . . . 0.0 111.785 -175.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -77.16 -20.36 55.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.056 0.455 . . . . 0.0 110.935 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.5 m -89.65 -50.63 5.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.369 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 14.7 ptmt -60.34 -39.24 86.42 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.606 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -64.91 -43.61 92.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.221 0.534 . . . . 0.0 110.705 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -67.59 -35.19 78.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.659 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -58.06 -48.46 80.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.171 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mt -67.46 -40.26 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.0 83.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.337 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -77.09 -22.73 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.04 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.549 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -87.62 -32.25 19.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.303 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.7 mmt -67.56 -39.08 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.191 0.52 . . . . 0.0 110.257 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.2 p -69.32 -48.88 60.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.56 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.549 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.3 p-10 -65.27 -22.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.162 -173.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.49 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -73.05 -33.16 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.804 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.402 HD12 HG11 ' B' ' 112' ' ' VAL . 6.9 mp -75.04 2.72 9.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 75.6 mm-40 -99.24 -47.67 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.286 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -78.95 -66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.173 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 11.5 p -82.85 -38.56 22.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.47 8.53 40.45 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.81 148.64 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.764 -0.718 . . . . 0.0 109.753 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.402 HG11 HD12 ' B' ' 106' ' ' LEU . 2.2 p -111.29 132.58 59.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.778 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.38 -91.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.867 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.532 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 38.7 tt0 178.99 -60.28 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 21.0 Cg_exo -65.26 -34.81 43.63 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.824 1.682 . . . . 0.0 112.842 -171.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.582 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.8 t80 -54.01 -50.07 67.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.341 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.56 -33.29 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.727 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -67.45 -33.47 75.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 27.0 mm-40 -73.9 -36.24 64.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.832 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 116' ' ' PHE . 33.7 mm -60.35 -44.83 96.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.3 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -62.17 -36.82 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.793 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -67.7 -40.91 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.596 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.8 mt -60.85 -53.72 53.83 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.441 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 120' ' ' ILE . 40.0 t -59.58 -34.18 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.17 0.51 . . . . 0.0 110.806 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 20.5 t -85.63 -20.45 29.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.972 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.5 ptm -83.55 -45.06 13.97 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.316 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -63.08 -17.37 62.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.072 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.72 99.76 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.461 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.84 -34.11 62.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.628 0.251 . . . . 0.0 110.599 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.27 -52.56 64.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.038 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.06 22.11 64.53 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.05 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -79.76 -1.03 36.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.856 0.836 . . . . 0.0 110.586 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.498 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.791 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.82 -15.3 46.84 Favored 'Trans proline' 0 C--N 1.34 0.086 0 C-N-CA 122.264 1.976 . . . . 0.0 112.597 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -117.44 14.69 14.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 8' ' ' THR . 13.3 t -82.95 -23.03 33.61 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.03 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -128.97 132.07 24.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.21 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -40.37 80.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 111.782 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' ASN . . . -58.92 -35.19 81.93 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.983 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.55 -41.83 23.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.751 0.276 . . . . 0.0 110.462 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.72 81.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.677 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -32.73 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 111.34 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER -73.4 -26.04 60.81 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.099 0.476 . . . . 0.0 110.266 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.26 -42.93 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.985 174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.2 mtt -76.64 -42.14 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -58.96 -44.59 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.395 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 p -74.75 -33.44 62.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -58.28 -48.47 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mmm -59.3 -36.68 76.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.494 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -68.31 -29.4 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.297 0.57 . . . . 0.0 111.181 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.77 -30.12 24.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.051 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -78.54 -28.4 46.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.432 ' HA ' ' HG ' ' A' ' 38' ' ' LEU . 52.4 p -64.04 -21.81 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -104.17 23.95 12.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.563 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 mmt -103.24 135.61 19.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.78 -13.38 32.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.032 2.488 . . . . 0.0 112.452 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.45 -37.1 94.29 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.111 -0.95 . . . . 0.0 113.124 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -109.03 172.07 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.902 -173.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.7 p -110.07 162.51 14.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.539 173.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.51 66.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.637 ' NE2' ' HB2' ' A' ' 84' ' ' GLU . 46.9 mt-30 -69.93 -44.13 70.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.252 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 28' ' ' SER . 4.5 mm? -59.2 -33.35 70.86 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.764 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.95 -32.15 68.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 29.7 t70 -81.48 -46.93 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.728 0.299 . . . . 0.0 110.877 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 10.2 ptp -69.24 -22.02 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.188 -178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 t -59.38 -32.62 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.028 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -63.95 -40.63 96.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.59 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -70.29 -42.11 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.233 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.74 48.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.102 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' HA ' HG23 ' A' ' 49' ' ' VAL . 2.0 pt20 -77.24 -23.86 51.23 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.483 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -66.64 -40.48 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.133 0.492 . . . . 0.0 109.894 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.454 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.4 mmm -69.95 -38.87 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.983 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 46' ' ' GLN . 13.0 m -72.19 -35.15 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.314 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -69.23 -36.1 76.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.68 0.276 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -72.19 -38.47 69.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.709 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 48' ' ' MET . 68.1 mt -59.75 -47.54 90.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 110.449 174.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.44 -39.43 83.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.763 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -46.05 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.27 -32.97 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.097 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.3 92.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 0.0 110.441 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.88 65.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.058 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.5 -5.41 58.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.272 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.98 41.91 70.31 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.921 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -111.26 -3.35 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.062 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -83.52 124.7 31.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.601 0.715 . . . . 0.0 112.556 -172.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 32.8 m -153.09 162.29 26.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 175.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 3.3 Cg_endo -45.57 -52.59 6.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.173 2.582 . . . . 0.0 113.279 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.69 -30.46 71.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.2 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 26.4 mmmt -73.06 -43.79 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.24 0.543 . . . . 0.0 110.321 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.63 -31.65 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.209 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.29 -45.02 88.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.467 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.508 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -72.21 -3.64 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.614 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -112.39 3.18 16.79 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.535 0.683 . . . . 0.0 109.307 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.1 -48.31 8.18 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.51 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 96.7 mmm -72.84 -31.94 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.223 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' HB2' ' HE1' ' A' ' 48' ' ' MET . . . -56.95 -35.2 68.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.0 111.163 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.1 t80 -77.87 -43.62 29.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.69 71.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.707 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 p -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.314 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.636 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 p -68.61 -23.93 64.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.247 0.546 . . . . 0.0 111.428 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.518 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -77.37 -21.58 53.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.153 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.7 -40.07 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.636 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 11.2 pt-20 -65.24 -38.9 91.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.681 0.277 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' SER . 19.5 mt -66.2 -42.09 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.41 0.624 . . . . 0.0 109.911 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.28 94.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.283 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.16 9.09 15.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.517 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -105.37 -69.76 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.682 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.637 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 15.6 mp0 -84.58 151.28 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.934 0.873 . . . . 0.0 111.912 -174.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.25 -151.33 0.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.796 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.65 -138.02 7.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.129 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.95 -13.02 59.67 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.36 123.02 5.89 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -69.36 176.91 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.35 0.26 . . . . 0.0 111.113 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 58.4 tp -55.41 -40.33 71.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.937 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -63.81 -39.57 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.67 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -70.86 -31.13 67.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.234 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HE3' ' OE1' ' A' ' 37' ' ' GLN . 41.2 mmtm -59.66 -43.81 93.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.345 0.593 . . . . 0.0 109.971 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.47 65.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.063 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.3 m -62.69 -38.36 90.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.912 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 p -68.22 -45.38 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.043 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.4 mt -62.23 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.593 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.41 -43.71 71.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.92 0.391 . . . . 0.0 111.125 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.65 -51.14 69.7 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.03 64.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.562 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.2 -46.99 84.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.049 0.452 . . . . 0.0 109.968 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -36.63 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.133 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -63.92 -42.9 97.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.082 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -36.29 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -63.57 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.289 0.566 . . . . 0.0 110.622 174.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.07 -8.38 56.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.016 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -98.1 -27.56 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -90.69 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.766 0.317 . . . . 0.0 111.705 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 p -94.74 -49.2 5.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.036 0.446 . . . . 0.0 111.092 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.12 -1.98 9.07 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -137.92 149.27 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.26 142.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.915 0.388 . . . . 0.0 110.959 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -101.82 112.97 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.66 -48.99 91.72 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.34 -46.5 19.76 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.098 1.865 . . . . 0.0 112.509 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.0 -53.04 62.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.51 -38.97 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.96 -40.93 95.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.437 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.86 -29.73 70.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.402 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 116' ' ' PHE . 35.8 mm -65.57 -34.1 68.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.9 p -64.44 -33.44 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -69.57 -31.62 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.496 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.94 -48.9 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.8 t -62.17 -35.87 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -73.02 -41.29 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.582 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -71.92 -38.21 69.91 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.642 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.22 -12.91 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.713 0.292 . . . . 0.0 111.161 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.03 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.66 -32.72 58.14 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.414 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.67 -59.14 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.457 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.61 61.39 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.161 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -82.12 9.52 8.42 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.483 0.659 . . . . 0.0 111.408 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.42 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.834 177.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.607 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.1 p . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.9 -12.92 36.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.306 2.004 . . . . 0.0 112.792 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -126.7 17.29 7.46 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.607 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 11.5 t -79.53 -26.44 41.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.753 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.46 ' HB2' HD21 ' B' ' 15' ' ' LEU . 88.4 m-20 -134.46 151.3 75.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.416 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 12' ' ' ASN . 13.2 Cg_exo -70.85 7.96 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.813 2.342 . . . . 0.0 111.79 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.407 ' C ' HD22 ' B' ' 15' ' ' LEU . . . -108.85 -2.04 32.14 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' B' ' 12' ' ' ASN . 3.8 mm? -118.78 -31.29 4.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.05 88.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.133 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -28.41 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.994 0.425 . . . . 0.0 110.752 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.16 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.429 173.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.09 -47.64 84.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.859 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 14.1 mmt -58.68 -51.48 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.432 0.634 . . . . 0.0 110.675 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 47.6 m-80 -62.98 -46.83 85.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.154 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.8 m -60.95 -31.18 70.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.861 0.363 . . . . 0.0 111.001 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -70.07 -52.05 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.7 -35.8 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.639 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 98.0 mt-30 -64.19 -28.59 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.254 0.549 . . . . 0.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.89 -23.22 30.88 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.323 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.31 -29.88 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 0.0 111.205 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -74.12 5.23 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.914 0.387 . . . . 0.0 111.838 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -120.86 12.61 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.094 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mmt -95.4 132.75 27.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.11 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.59 -19.5 32.1 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.229 2.619 . . . . 0.0 113.459 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -20.31 73.8 Favored Glycine 0 C--N 1.32 -0.328 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.347 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -106.0 174.13 6.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -173.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p -116.58 168.99 9.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.07 85.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -63.99 -41.56 97.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.18 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.31 -47.75 63.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.277 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.09 -36.31 74.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.023 0.439 . . . . 0.0 110.677 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.48 -44.34 91.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.587 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.35 -51.05 16.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.332 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 10.6 ptm -71.07 -21.18 62.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.7 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -64.85 -19.35 65.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.998 0.427 . . . . 0.0 110.292 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 43.3 m -72.82 -40.88 65.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mt -72.14 -32.93 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.266 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 49' ' ' VAL . . . -51.94 -51.93 53.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.069 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.484 ' O ' HG21 ' B' ' 49' ' ' VAL . 2.2 pt20 -78.54 -22.56 47.1 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.454 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -65.48 -40.95 93.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 0.0 109.957 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.434 ' O ' HG13 ' B' ' 52' ' ' ILE . 94.7 mmm -73.13 -27.11 61.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.401 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 10.6 m -81.77 -38.84 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.085 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -72.34 -30.42 64.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.591 0.234 . . . . 0.0 111.332 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 2.9 p -66.61 -43.02 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 48' ' ' MET . 81.8 mt -58.69 -44.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 176.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' B' ' 49' ' ' VAL . 82.1 mt-30 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.097 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -67.24 -33.67 75.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.629 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 51' ' ' SER . 71.1 mt -72.49 -37.33 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 176.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.416 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.17 87.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 111.083 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.95 -17.27 41.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.195 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.24 41.72 8.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.93 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -102.57 -1.01 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.43 127.35 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.292 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.442 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 15.5 m -150.4 161.43 30.64 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 9.3 Cg_endo -51.23 -42.56 53.41 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.685 2.257 . . . . 0.0 112.624 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.49 -46.43 90.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 45.8 mmtt -59.21 -47.6 84.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.3 0.572 . . . . 0.0 109.977 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.85 -42.96 84.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.885 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 33.5 tt0 -61.26 -50.05 74.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.513 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.89 -33.85 74.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 mt -76.26 -5.16 45.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.299 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -45.05 11.97 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 170.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.0 mmm -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.541 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -24.57 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 111.282 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' B' ' 77' ' ' MET . 78.6 t80 -82.55 -41.14 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.266 0.555 . . . . 0.0 109.623 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' B' ' 120' ' ' ILE . . . -62.42 -37.37 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.444 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.0 p -70.56 -45.55 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.548 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.3 p -66.17 -33.75 76.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 111.379 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.7 mmt -70.2 -28.03 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.338 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.78 -44.86 47.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.061 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.548 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 12.1 pt-20 -64.18 -37.66 88.28 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.726 0.298 . . . . 0.0 110.964 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 76' ' ' SER . 19.1 mt -66.39 -43.48 91.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.216 0.531 . . . . 0.0 110.314 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.319 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.31 4.93 7.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.579 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -100.99 -64.46 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.391 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -90.96 133.64 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 112.127 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.448 ' OE2' ' HA ' ' B' ' 89' ' ' SER . 10.3 mm-40 -112.3 -166.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.025 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.21 -79.09 0.32 Allowed Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.0 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 -5.0 63.85 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.18 138.74 6.75 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.448 ' HA ' ' OE2' ' B' ' 85' ' ' GLU . 23.2 m -83.85 168.47 16.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.784 0.292 . . . . 0.0 111.083 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.28 -36.19 75.1 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.2 m -60.43 -35.56 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.31 0.576 . . . . 0.0 110.323 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -77.42 -36.91 52.8 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.868 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -53.74 -55.51 25.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.465 0.65 . . . . 0.0 109.946 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -55.29 -47.99 74.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.696 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 29.2 m -69.24 -42.15 76.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.753 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.3 p -65.31 -44.14 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.267 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.07 -47.05 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.672 0.272 . . . . 0.0 110.484 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.33 -46.78 85.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -65.35 -41.86 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.04 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.291 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.421 ' SD ' HG13 ' B' ' 120' ' ' ILE . 39.5 mtt -67.22 -42.57 83.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.813 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.2 m -57.46 -38.82 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.324 0.583 . . . . 0.0 110.124 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.2 t30 -64.23 -43.8 93.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.929 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.46 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.457 -178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.607 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 27.8 m-85 -63.35 -39.68 95.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.04 -21.88 60.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 68.0 mm-40 -83.14 -42.12 17.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.608 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.8 p -71.21 -76.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.086 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 8.7 t -98.77 -21.99 16.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.3 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.87 12.86 26.91 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.272 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -151.13 148.92 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.48 140.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 0.0 111.009 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -100.76 113.82 27.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.557 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.479 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 21.8 mp0 -58.5 -51.3 82.82 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' B' ' 114' ' ' GLN . 85.4 Cg_exo -48.57 -44.77 29.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 122.078 1.852 . . . . 0.0 112.688 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.55 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.2 t80 -57.91 -58.62 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.46 -35.5 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -65.98 -41.61 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.069 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 57.6 mm-40 -67.74 -31.53 71.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.55 HG12 ' O ' ' B' ' 116' ' ' PHE . 35.3 mm -62.65 -40.74 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 59.9 p -61.09 -33.29 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.001 0.429 . . . . 0.0 110.727 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.0 -38.17 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.442 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.38 -51.34 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.657 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.79 -35.09 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.126 0.489 . . . . 0.0 110.443 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 53.7 m -73.48 -48.08 36.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -64.37 -41.22 96.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.92 -20.95 66.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 111.648 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.5 84.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.66 -21.21 30.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.019 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.8 -54.41 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.517 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.34 12.63 58.81 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.836 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.55 7.93 21.19 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.572 0.701 . . . . 0.0 111.19 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.12 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.431 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 19.9 p . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 37.5 Cg_endo -68.1 5.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.544 2.163 . . . . 0.0 113.176 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.521 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 9.5 p90 -137.46 18.68 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 14.5 t -83.53 -10.33 58.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -146.82 150.63 39.96 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.957 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -32.05 67.92 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.015 2.476 . . . . 0.0 112.814 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -56.04 24.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.191 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.2 -35.5 81.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.627 0.214 . . . . 0.0 111.16 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.7 95.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.222 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.38 -42.52 98.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.506 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -65.14 -41.99 94.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -49.88 -45.22 50.42 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.452 0.47 . . . . 0.0 111.267 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.44 -51.34 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -67.64 -39.77 84.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.243 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 m -66.25 -24.46 66.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.236 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 73.7 t80 -81.64 -51.44 8.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.24 -31.3 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.514 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.14 -28.71 69.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.411 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.13 -35.47 6.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD21 ' CZ ' ' A' ' 23' ' ' PHE . 43.2 tp -70.95 -26.58 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.059 0.456 . . . . 0.0 110.687 -175.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 p -75.21 -0.17 18.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -113.01 5.13 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.278 0.561 . . . . 0.0 109.648 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 mmt -98.98 148.82 35.09 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.29 160.72 46.36 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.361 2.041 . . . . 0.0 111.184 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.28 -38.14 3.34 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.38 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 93' ' ' LYS . 77.1 m-85 -103.59 123.03 46.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -91.22 170.28 10.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.664 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.96 67.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -68.37 -46.1 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 41' ' ' MET . 85.7 mm-40 -72.13 -37.5 69.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.96 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.1 -45.7 92.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.25 -46.77 75.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 6.9 ptp -73.58 -30.61 63.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.179 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -65.22 -27.04 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.251 0.548 . . . . 0.0 109.752 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.9 m -67.03 -40.49 87.22 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.994 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 48' ' ' MET . 38.0 mt -72.89 -35.34 48.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.511 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.45 32.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.2 pt20 -75.02 -21.94 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 29.1 t -66.34 -43.12 86.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 92.9 mmm -66.22 -41.84 89.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.83 -178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.657 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 14.4 m -67.39 -31.52 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.541 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -75.01 -29.73 60.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 110.708 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.7 m -59.59 -44.25 93.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 48' ' ' MET . 72.7 mt -62.57 -47.13 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.552 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 73.2 mm-40 -56.62 -46.32 81.0 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -64.1 -34.93 79.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.979 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -78.49 -36.79 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.029 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.9 -36.0 72.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.155 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.98 95.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.504 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -72.26 -46.89 54.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.471 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.9 53.68 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.807 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 24.97 3.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -86.29 118.28 25.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.302 0.572 . . . . 0.0 111.143 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 p -135.55 160.12 68.96 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.3 Cg_endo -50.66 -41.06 55.07 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.557 2.171 . . . . 0.0 112.027 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -68.32 -43.29 77.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.465 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.26 -47.65 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.752 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -68.77 -39.43 80.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.967 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.669 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.3 tt0 -56.31 -41.56 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.979 0.419 . . . . 0.0 110.733 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.49 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.77 -39.22 17.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.45 -46.64 69.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.097 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.4 mmm -69.74 -34.64 74.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' B' ' 76' ' ' SER . . . -63.79 -34.6 78.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.501 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.2 t80 -71.98 -46.17 58.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.043 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.95 77.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.45 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.7 p -76.14 -38.02 57.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.9 p -68.84 -37.64 79.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 0.0 110.791 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 110.119 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.46 -49.26 27.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.086 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.666 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -69.31 -32.52 71.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.49 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' SER . 17.7 mt -59.69 -48.47 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.82 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.2 57.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.644 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.7 t -96.48 -77.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -123.99 171.15 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -154.0 174.74 14.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.192 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.07 0.76 9.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.886 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.63 60.41 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.696 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.6 118.42 0.79 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.564 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 11.8 m -54.49 148.02 12.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.806 -172.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.534 ' HA ' ' HZ1' ' A' ' 93' ' ' LYS . 50.3 tp -58.38 -52.47 65.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.647 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 p -60.25 -34.7 74.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.949 0.404 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.564 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 32.6 m -64.25 -57.88 8.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.543 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 23.9 pttm -72.71 -15.97 61.68 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.3 m -66.45 -42.4 87.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.261 0.553 . . . . 0.0 110.083 173.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -73.01 -28.01 62.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.972 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.716 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.17 -47.23 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.162 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.27 75.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.119 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.5 m -63.53 -41.33 98.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.826 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -91.4 -19.96 22.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.0 -47.74 79.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.139 0.495 . . . . 0.0 109.997 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -64.84 -36.44 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.004 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . 1.7 t-20 -54.53 -57.97 9.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.708 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.43 57.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.493 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -65.33 -33.21 75.44 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 111.549 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.29 -13.77 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.631 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.54 -38.07 15.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.357 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -84.89 -69.79 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.1 p -93.04 -42.77 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.43 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.47 4.48 28.6 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.476 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.99 147.31 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.409 . . . . 0.0 110.25 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.79 123.79 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.2 114.37 18.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 64.3 tt0 -65.69 -47.67 65.87 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.6 Cg_exo -49.9 -42.02 45.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.003 1.802 . . . . 0.0 112.354 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' HG12 ' A' ' 120' ' ' ILE . 34.9 t80 -53.13 -51.31 62.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.16 -37.99 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.86 -44.56 85.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -58.37 -41.3 84.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 116' ' ' PHE . 28.7 mm -60.59 -42.14 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -70.65 -25.31 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.899 0.38 . . . . 0.0 111.055 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -73.43 -33.2 64.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.72 -48.82 79.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.838 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.01 -39.59 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.5 t -79.57 1.32 26.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.877 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.404 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 27.3 ptm -113.59 -37.96 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.174 176.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.9 -23.57 67.4 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.56 77.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.483 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 1.5 mp0 -89.06 -13.22 39.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.65 18.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.23 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.61 13.24 83.16 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.677 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -89.01 12.7 14.77 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 122.102 0.953 . . . . 0.0 110.198 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.568 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.309 -1.185 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.222 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.42 ' O ' HG22 ' B' ' 11' ' ' THR . 6.8 p . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.43 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 34.8 Cg_endo -66.19 -0.7 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.707 2.271 . . . . 0.0 112.978 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . 0.43 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 7.1 p90 -130.87 23.84 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.126 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.42 HG22 ' O ' ' B' ' 8' ' ' THR . 15.0 t -85.84 -11.85 52.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.724 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -144.29 150.09 47.08 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.81 -34.48 75.46 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.055 2.503 . . . . 0.0 113.017 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.3 -59.24 11.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.781 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.23 -37.76 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.666 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -71.41 -41.81 69.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.45 -29.24 69.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.15 -45.01 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.547 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.7 mmt -64.01 -44.75 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.877 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -63.03 -45.27 93.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.502 ' HA ' ' NE2' ' B' ' 25' ' ' GLN . 50.3 m -65.54 -29.7 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.557 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 70.3 t80 -73.79 -55.65 5.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.34 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.32 -34.95 77.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.53 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' B' ' 22' ' ' SER . 20.2 pt20 -65.44 -24.99 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.504 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.6 -35.27 5.97 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' B' ' 23' ' ' PHE . 53.8 tp -69.5 -30.81 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -73.17 0.89 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.085 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -117.81 11.86 13.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.623 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.7 mmt -97.94 149.95 36.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.69 160.71 40.69 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.972 1.781 . . . . 0.0 111.163 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . 0.603 ' HA2' ' N ' ' B' ' 88' ' ' GLY . . . 100.71 -49.82 1.07 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.692 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.2 138.1 31.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.819 0.343 . . . . 0.0 110.28 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -98.33 165.08 12.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.39 72.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.747 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -72.4 -26.84 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 111.447 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' B' ' 41' ' ' MET . 97.7 mt-30 -85.19 -35.41 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.42 -31.93 73.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.351 0.596 . . . . 0.0 109.585 171.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.44 -32.45 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.246 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.03 -40.62 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.838 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 5.8 ptp -80.36 -28.84 37.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -63.03 -18.9 63.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.045 0.45 . . . . 0.0 110.71 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 m -66.45 -40.99 89.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.314 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.543 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 53.9 mt -75.25 -30.75 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.59 65.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.118 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.468 ' O ' HG23 ' B' ' 49' ' ' VAL . 0.9 OUTLIER -92.36 -27.02 17.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.724 -177.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.543 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 64.8 p -66.86 -36.94 83.46 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.175 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.523 ' O ' HG13 ' B' ' 52' ' ' ILE . 91.7 mmm -63.02 -46.24 88.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 5.7 m -70.51 -32.8 51.09 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.386 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.74 -38.93 92.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.425 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 69.0 m -68.37 -37.7 80.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.397 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 48' ' ' MET . 59.5 mt -56.62 -48.62 80.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.37 175.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 60.7 mm-40 -62.36 -40.58 96.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.298 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.9 m -65.62 -37.17 85.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.212 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 51' ' ' SER . 87.2 mt -68.04 -36.82 80.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.696 0.284 . . . . 0.0 110.64 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.63 -40.09 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.13 96.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.99 -56.49 6.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.48 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.84 46.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.347 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 23.11 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.997 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.09 149.49 25.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.411 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.9 p -167.51 162.11 10.14 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.55 -35.17 55.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.368 2.045 . . . . 0.0 112.029 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -68.32 -51.5 43.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.204 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -41.23 84.8 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.074 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.4 -34.8 63.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.087 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.568 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.1 tt0 -63.86 -42.6 97.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.407 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.666 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -59.96 -33.08 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.531 0.681 . . . . 0.0 110.758 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.28 -8.24 58.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.113 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 13.6 m120 -78.42 -48.52 15.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.429 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.36 -40.81 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.889 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 76' ' ' SER . . . -60.27 -27.69 67.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.075 0.465 . . . . 0.0 111.374 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.472 ' O ' ' HG2' ' B' ' 77' ' ' MET . 68.7 t80 -79.57 -43.93 22.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.206 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.48 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 23.7 p -73.45 -44.04 59.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 7.2 p -64.06 -36.48 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 110.776 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.529 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 28.0 mmt -65.11 -38.69 91.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.33 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.99 92.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.521 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -55.13 -53.56 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.712 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 76' ' ' SER . 27.1 mt -60.23 -45.55 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.34 90.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.851 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.69 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.257 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 34.4 t -84.37 -49.97 8.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.796 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.73 136.1 33.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -170.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -156.37 155.24 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.432 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.69 30.86 1.13 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.723 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.53 -34.04 0.29 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.603 ' N ' ' HA2' ' B' ' 32' ' ' GLY . . . -112.48 123.85 6.46 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.836 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.6 m -72.46 -176.72 1.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.613 0.245 . . . . 0.0 110.837 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.427 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.1 tp -55.14 -36.3 65.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.345 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.5 m -66.27 -23.35 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -98.99 -52.14 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.633 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 56.7 pttt -64.78 -25.52 67.96 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.5 m -66.47 -39.4 88.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.523 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.0 t -71.25 -33.35 69.75 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.384 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -58.03 -42.32 85.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.07 -45.59 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.828 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.32 -43.22 88.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.04 0.448 . . . . 0.0 111.39 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.7 t -72.92 -25.51 61.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.558 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -82.63 -36.79 25.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.889 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.39 -42.15 98.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 0.0 110.368 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -69.66 -40.43 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.637 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.558 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER -72.74 -23.25 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.999 -178.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.6 m-85 -67.36 -27.79 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.46 -15.58 61.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -88.97 -46.31 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.36 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -75.51 -66.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.186 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -96.55 -44.39 7.18 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.542 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.11 -6.24 17.42 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.766 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.8 p -125.68 151.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.19 126.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.778 0.323 . . . . 0.0 111.081 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -81.84 94.93 7.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -62.59 -42.97 82.49 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -46.3 -46.68 16.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.06 1.84 . . . . 0.0 112.271 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.638 ' O ' HG12 ' B' ' 120' ' ' ILE . 68.2 t80 -56.16 -52.08 65.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.414 176.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.5 mm -57.71 -41.76 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.089 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.65 -43.68 92.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.264 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -66.93 -28.47 68.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.012 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.638 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -61.82 -41.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.256 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -61.45 -30.41 70.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.698 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -74.53 -35.66 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.07 -51.94 67.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.35 -32.97 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.277 0.561 . . . . 0.0 110.937 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 8.8 t -86.82 -26.88 23.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.759 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -78.56 -37.31 43.02 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.624 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -67.08 -20.97 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.104 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.93 78.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.582 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -76.08 -25.79 55.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.373 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.88 3.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.18 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.56 29.0 73.97 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.451 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -84.17 12.33 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.669 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.084 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' HG21 ' A' ' 11' ' ' THR . 12.1 p . . . . . 0 N--CA 1.445 -0.696 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.31 -23.72 56.08 Favored 'Trans proline' 0 C--O 1.224 -0.207 0 C-N-CA 122.038 1.825 . . . . 0.0 112.309 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.437 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 23.8 p90 -111.21 16.87 20.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.104 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 8' ' ' THR . 14.5 t -74.41 -17.16 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -160.22 157.26 24.58 Favored Pre-proline 0 C--O 1.234 0.285 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.22 3.05 3.75 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.99 2.46 . . . . 0.0 113.147 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.34 6.81 59.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.981 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -131.2 -30.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.595 0.235 . . . . 0.0 110.781 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.59 67.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.065 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -37.56 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -61.68 -28.94 69.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.966 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.83 -32.94 72.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.599 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtt -85.56 -42.7 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 109.576 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.2 -46.42 82.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.739 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 m -64.88 -38.44 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.784 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 66.1 t80 -63.83 -52.77 58.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.6 mmm -57.66 -42.78 84.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.457 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -62.94 -44.67 95.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.66 90.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.557 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 51.2 tp -67.18 -31.95 72.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 0.0 111.266 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 t -65.9 -10.52 39.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.977 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 t -110.39 15.98 21.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.16 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.8 mmt -104.05 151.12 38.91 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.537 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 165.4 31.25 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 111.255 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.445 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 98.86 -39.32 2.78 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.783 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -90.84 165.0 13.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.947 0.404 . . . . 0.0 111.639 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -112.76 -169.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.448 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -34.91 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.019 0.438 . . . . 0.0 110.794 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -80.35 -35.18 35.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.565 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -78.6 1.34 22.99 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.932 0.396 . . . . 0.0 111.511 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.17 -18.71 19.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.01 170.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.05 -52.79 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.561 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -47.36 85.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.98 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.9 ptp -65.29 -36.74 85.01 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.2 m -66.73 -25.77 66.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.432 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 35.0 m -66.31 -47.74 72.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.105 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.37 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -52.88 -52.81 56.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.112 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -70.44 -18.53 63.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -177.436 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' B' ' 51' ' ' SER . 48.9 m -75.38 -41.68 55.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.436 176.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 72' ' ' ALA . 82.5 mmm -73.09 -38.1 66.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.684 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 19.3 m -69.68 -39.82 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.538 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.9 -34.86 64.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.0 p -66.79 -45.67 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 110.401 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.4 -44.46 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.84 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 78.8 mt-30 -61.36 -42.93 99.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -64.38 -40.17 95.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.408 . . . . 0.0 110.54 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 51' ' ' SER . 59.3 mt -66.87 -37.86 85.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.097 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.13 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.39 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.43 3.23 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.88 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.73 95.08 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.518 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 13.6 mmm180 -101.93 -1.47 31.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 -177.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 p -85.79 148.25 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.212 0.53 . . . . 0.0 112.137 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -150.48 151.07 30.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.65 -58.59 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.034 2.49 . . . . 0.0 113.179 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -62.09 -36.03 80.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 0.0 111.602 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 17.6 ttpt -73.59 -29.77 62.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.917 -176.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.39 -32.72 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.238 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.56 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.0 tt0 -65.16 -42.14 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.98 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.451 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.61 4.96 8.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 111.682 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 10' ' ' TRP . 5.3 m-80 -98.39 -46.35 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 84.1 mmm -60.81 -46.69 89.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.687 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HB2' ' HE2' ' A' ' 48' ' ' MET . . . -51.91 -39.62 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.387 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.3 t80 -68.95 -49.51 57.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.256 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.74 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.636 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 50.4 m -63.21 -54.64 34.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.558 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 66.2 m -61.53 -30.27 70.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 24.7 mmt -66.58 -33.43 75.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.1 0.476 . . . . 0.0 109.836 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -46.96 43.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.948 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 75' ' ' SER . 67.7 mt-10 -53.93 -52.61 60.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 76' ' ' SER . 20.4 mt -58.72 -44.79 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.085 0.469 . . . . 0.0 111.332 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.62 84.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.399 0.619 . . . . 0.0 111.076 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.5 -2.06 48.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.676 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -78.85 -73.95 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.981 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -113.87 153.24 29.52 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.729 0.776 . . . . 0.0 111.628 -175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -112.51 167.12 10.71 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.364 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.15 -57.14 0.19 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.929 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.81 -26.99 13.36 Favored Glycine 0 CA--C 1.509 -0.321 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.886 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.445 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -169.18 150.31 15.26 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 p -55.34 157.84 3.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.503 -170.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.36 -52.84 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.353 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.53 -39.49 88.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.517 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -60.42 -51.88 67.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.348 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -75.95 -10.77 59.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.76 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -69.14 -44.55 72.08 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.7 t -63.74 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.071 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.3 m -56.25 -46.69 79.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.3 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.08 -47.16 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.682 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.45 90.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -67.08 -35.32 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.1 -39.13 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.33 -52.35 65.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -58.44 -48.32 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -54.45 -39.18 67.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.656 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.13 -28.99 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.568 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 48.9 m-85 -70.71 -35.86 72.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.197 0.522 . . . . 0.0 110.445 178.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.54 -17.11 60.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.547 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.9 mm-40 -86.79 -30.81 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 p -92.97 -68.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.636 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.7 p -87.91 -38.15 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.423 . . . . 0.0 111.1 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.17 12.61 31.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.568 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.0 p -153.59 150.16 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.68 131.94 66.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.93 125.14 41.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.805 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.51 -44.24 91.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -43.08 -48.11 8.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.515 2.143 . . . . 0.0 113.65 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.526 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.0 t80 -59.7 -45.67 91.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 110.73 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.19 -36.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -74.63 -20.94 59.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -36.9 63.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 174.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 116' ' ' PHE . 43.1 mm -66.05 -36.02 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.341 -175.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -63.48 -37.27 86.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.688 0.28 . . . . 0.0 111.142 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.71 -36.87 85.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.493 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.27 -52.84 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.672 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.68 -38.83 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.087 0.47 . . . . 0.0 110.8 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -68.92 -46.91 67.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.561 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.451 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 26.0 ptm -65.86 -43.73 87.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.493 -175.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -67.32 -24.98 65.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.619 0.247 . . . . 0.0 110.922 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.38 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 0.0 110.901 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 2.8 mt-30 -78.73 -30.06 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.22 -61.85 1.65 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.942 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.13 39.77 92.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.397 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -79.32 8.15 6.59 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.767 0.794 . . . . 0.0 111.257 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.308 -1.202 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.599 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.422 ' O ' HG21 ' B' ' 11' ' ' THR . 12.0 p . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.441 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 43.9 Cg_endo -70.58 5.73 1.89 Allowed 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.404 2.069 . . . . 0.0 112.859 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . 0.441 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 15.1 p90 -138.87 21.35 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.969 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.422 HG21 ' O ' ' B' ' 8' ' ' THR . 10.1 t -68.88 -20.39 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 111.465 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.493 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 13.6 p30 -159.34 159.34 28.59 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 8.2 Cg_endo -50.46 -23.21 10.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.762 2.975 . . . . 0.0 114.554 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.75 -18.15 64.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.645 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.04 -32.4 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.81 0.338 . . . . 0.0 110.207 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -72.09 -36.05 69.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.441 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.75 -41.22 86.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.6 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.2 mtt -66.99 -47.6 71.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.564 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -61.21 -42.77 99.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.353 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.1 m -62.41 -36.46 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.741 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.466 ' CE2' HD22 ' B' ' 27' ' ' LEU . 78.3 t80 -67.62 -52.49 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.674 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.491 ' HE1' ' OG ' ' B' ' 42' ' ' SER . 76.8 mmm -57.51 -46.44 83.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.616 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -57.49 -43.0 83.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.965 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.29 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.568 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.466 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -66.79 -29.97 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.408 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -63.83 -12.9 40.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.547 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -111.84 11.59 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.431 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 23.3 mmt -95.86 152.27 38.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.812 -177.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.15 155.02 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.384 2.056 . . . . 0.0 111.309 174.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . 0.452 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 105.22 -31.04 8.95 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.294 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' B' ' 27' ' ' LEU . 68.8 m-85 -101.21 143.81 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.056 0.455 . . . . 0.0 111.142 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.2 p -90.03 173.06 8.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.628 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.02 89.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.542 ' HA ' ' OD2' ' B' ' 39' ' ' ASP . 64.1 m -88.44 -5.38 58.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -173.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -84.14 0.36 48.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.35 -20.68 17.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.392 170.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' B' ' 36' ' ' SER . 8.8 m-20 -65.75 -51.49 58.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.799 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -49.6 75.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.375 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 9.5 ptp -69.36 -32.83 72.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.491 ' OG ' ' HE1' ' B' ' 24' ' ' MET . 69.2 m -66.32 -31.98 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.346 176.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 47.3 m -63.68 -41.37 98.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.191 0.52 . . . . 0.0 109.76 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.51 -42.95 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.434 ' O ' HG12 ' B' ' 49' ' ' VAL . . . -50.67 -51.89 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.449 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -15.94 62.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.725 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -82.37 -39.37 22.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.082 0.467 . . . . 0.0 110.153 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.438 ' HE1' ' HB1' ' B' ' 72' ' ' ALA . 74.1 mmm -64.15 -46.69 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.421 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.434 HG12 ' O ' ' B' ' 45' ' ' ALA . 17.8 m -61.06 -41.26 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' B' ' 53' ' ' GLN . 47.4 mt-30 -69.1 -37.27 78.3 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.635 0.255 . . . . 0.0 111.613 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 89.7 p -65.04 -36.98 86.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.91 0.386 . . . . 0.0 110.304 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.414 HG22 ' HB3' ' B' ' 13' ' ' PRO . 73.3 mt -67.28 -42.8 88.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' B' ' 50' ' ' GLN . 80.2 mt-30 -61.39 -34.76 75.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -71.08 -36.62 72.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.304 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 51' ' ' SER . 83.0 mt -63.6 -34.7 78.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.43 85.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.709 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.2 79.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.927 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.69 -22.9 56.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.222 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.91 45.49 5.4 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.272 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.482 ' O ' ' HE3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -134.3 31.41 3.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 111.213 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -87.2 122.71 31.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.679 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.5 m -132.75 157.19 78.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -54.64 -57.9 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.643 2.228 . . . . 0.0 112.646 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.18 -29.47 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.482 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 4.3 tppt? -71.0 -41.19 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.648 -178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.56 -38.74 77.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.243 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.5 tt0 -61.79 -34.03 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.679 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.61 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.16 -14.03 51.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.793 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.88 -48.29 54.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.499 ' HB3' ' OE2' ' A' ' 79' ' ' GLU . 79.5 mmm -65.82 -42.55 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.49 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.455 ' HB2' ' OG ' ' A' ' 76' ' ' SER . . . -50.92 -42.04 59.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.115 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' B' ' 77' ' ' MET . 23.1 t80 -63.15 -50.97 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.588 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.12 73.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.589 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -74.84 -46.0 39.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.6 t -69.64 -37.57 76.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.153 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.502 ' HG2' ' CE1' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.86 -7.6 49.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.443 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.42 -48.43 7.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.644 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' B' ' 79' ' ' GLU . 0.1 OUTLIER -64.94 -35.62 81.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.126 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.57 -46.38 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.585 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.1 -1.2 24.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.785 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 60.4 m -86.07 -73.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 111.673 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.83 148.48 29.49 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 122.245 1.021 . . . . 0.0 112.584 -172.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -114.68 166.19 12.0 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 113.683 -1.598 . . . . 0.0 109.262 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.79 14.03 0.11 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.804 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.87 -38.31 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.192 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.452 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -173.36 143.89 7.44 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -48.72 158.4 0.31 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -168.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -56.16 6.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.193 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -62.22 -33.3 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.268 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 16.8 m -59.89 -50.43 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.873 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -77.15 -23.75 51.61 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.701 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 69.9 m -61.22 -45.12 95.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 109.996 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 18.2 t -65.12 -38.63 91.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.039 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' SER . . . . . 0.431 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 54.6 m -58.23 -46.93 85.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 177.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' B' ' 101' ' ' MET . 46.8 mt -61.25 -47.61 92.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 110.489 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.7 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.304 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -69.51 -34.73 74.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.81 58.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.631 0.253 . . . . 0.0 110.942 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 24.2 mmt -62.32 -49.46 75.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.651 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -63.12 -35.66 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.644 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.1 t30 -61.84 -42.65 99.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.971 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.42 80.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.536 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.588 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 28.8 m-85 -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 0.0 110.796 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 -18.21 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.061 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.644 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.9 mm-40 -85.15 -38.57 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 -74.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -92.08 -30.4 16.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.506 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.95 14.34 23.13 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.636 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -152.3 149.59 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.34 134.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.288 0.566 . . . . 0.0 112.147 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -93.71 109.28 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.842 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.612 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 66.9 mt-30 -67.26 -38.84 17.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 2.6 Cg_endo -47.43 -44.0 25.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 122.009 1.806 . . . . 0.0 111.923 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.676 ' O ' HG12 ' B' ' 120' ' ' ILE . 60.1 t80 -60.02 -53.55 56.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.173 176.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.12 -42.08 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.62 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.85 -43.22 84.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.6 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.21 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.676 HG12 ' O ' ' B' ' 116' ' ' PHE . 37.9 mm -63.69 -41.48 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -177.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -60.34 -32.29 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 111.106 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -70.84 -37.36 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -58.04 -52.92 63.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.852 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.47 -44.34 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 110.574 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -68.1 -44.75 75.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.458 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.8 ptm -66.99 -37.76 84.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.166 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.04 72.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.042 0.449 . . . . 0.0 110.562 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 3.0 mt-30 -78.84 -27.33 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.826 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.21 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.15 15.05 64.77 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.385 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -78.57 10.41 3.23 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.302 0.573 . . . . 0.0 111.235 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.56 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 5.2 p30 . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.787 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 11' ' ' THR . 31.7 p . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.23 10.27 0.33 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.74 2.293 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.429 ' H ' ' C ' ' A' ' 8' ' ' THR . 27.8 p90 -138.9 10.86 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.639 0.256 . . . . 0.0 111.266 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 8' ' ' THR . 15.0 t -74.16 -18.11 60.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.249 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -152.86 156.0 32.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.536 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 -31.61 83.67 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.644 2.229 . . . . 0.0 112.855 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.87 -50.05 67.22 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.094 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 18' ' ' ASN . 95.9 mt -73.72 -27.74 61.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.647 -0.325 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -48.36 82.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.234 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.32 -29.55 47.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 1.2 t-20 -54.8 -45.19 74.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.98 -43.1 77.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.692 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.0 mtt -70.1 -47.46 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.628 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.7 m-80 -58.72 -48.27 81.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -63.43 -35.38 80.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 27' ' ' LEU . 85.6 t80 -62.96 -49.87 73.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.94 -34.07 76.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.8 mt-30 -55.59 -50.34 70.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.053 0.454 . . . . 0.0 110.574 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.85 -38.63 35.77 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.424 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 33' ' ' PHE . 26.5 tp -64.23 -31.74 73.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.712 0.292 . . . . 0.0 111.452 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 t -71.23 1.72 5.66 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -118.57 7.95 11.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.468 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -91.9 134.47 28.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.56 -17.24 26.72 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.008 2.472 . . . . 0.0 112.49 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.76 -16.46 74.35 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.079 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' A' ' 27' ' ' LEU . 42.6 m-85 -115.57 174.36 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.629 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 p -129.5 163.2 26.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.218 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -65.3 -48.78 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.332 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -70.76 -47.24 60.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.879 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.58 -42.13 82.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.358 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.42 -44.11 92.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.182 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.29 -41.26 41.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.435 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.4 ptm -72.46 -25.84 61.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -64.17 -26.11 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.246 175.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -63.88 -41.88 97.64 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.136 0.493 . . . . 0.0 109.932 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -71.95 -38.69 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.261 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.55 30.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.315 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.54 -23.75 60.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.547 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -68.14 -38.81 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.431 ' HE1' ' N ' ' A' ' 73' ' ' PHE . 73.7 mmm -64.43 -50.58 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.89 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 m -64.45 -35.01 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.519 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -71.87 -35.25 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.664 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.3 m -63.94 -42.52 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.765 0.317 . . . . 0.0 110.635 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 48' ' ' MET . 77.7 mt -56.15 -55.67 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.441 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.88 -30.68 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.658 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -67.81 -42.63 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.265 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.65 -30.08 67.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.758 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.13 72.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.805 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.69 -7.53 59.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.288 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.77 31.67 64.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.606 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.28 -6.68 27.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -79.01 135.3 36.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.34 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -135.19 151.51 75.27 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.1 -54.92 4.67 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.817 2.345 . . . . 0.0 113.218 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.04 -27.68 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -68.86 -41.62 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.255 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.0 -40.47 94.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.486 0.66 . . . . 0.0 109.547 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 30.7 tt0 -58.47 -44.25 89.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.039 176.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.59 81.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.717 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.18 -25.65 67.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -61.65 -40.48 95.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.4 mmm -73.74 -38.29 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.426 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -56.71 -42.34 79.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.195 0.521 . . . . 0.0 110.535 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' N ' ' HE1' ' A' ' 48' ' ' MET . 87.8 t80 -68.45 -43.44 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.32 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.14 85.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.771 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 p -80.57 -42.48 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.727 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 80' ' ' ILE . 13.2 p -60.39 -34.56 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.23 0.538 . . . . 0.0 111.276 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.491 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 26.7 mmt -80.57 -13.39 59.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.885 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.62 -41.63 16.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.882 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.55 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 9.8 pt-20 -64.41 -42.99 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' SER . 15.7 mt -64.52 -31.32 53.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.543 0.687 . . . . 0.0 110.567 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.591 ' O ' ' HD3' ' A' ' 93' ' ' LYS . . . -79.31 -52.83 7.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.375 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.18 14.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.117 -0.947 . . . . 0.0 113.139 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.428 ' CB ' HD22 ' A' ' 133' ' ' ASN . 44.3 t -78.54 -67.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -174.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.22 152.43 44.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 112.033 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.05 -170.81 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.333 -174.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.63 -61.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.942 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.87 -48.26 1.39 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.088 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.49 174.22 20.14 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.737 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 39.9 t -91.87 178.83 5.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 90' ' ' LEU . 5.4 tt -60.52 -43.9 96.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 t -65.11 -19.63 66.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.483 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -83.06 -35.91 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.591 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 72.2 mttt -59.83 -48.73 80.5 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.786 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.4 m -55.44 -51.91 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.364 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -66.28 -34.68 78.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.544 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -60.41 -48.17 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.918 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.8 mt -67.67 -45.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.14 73.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.981 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.1 t -64.75 -37.09 86.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.95 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.33 71.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.576 ' SD ' HG13 ' A' ' 120' ' ' ILE . 42.7 mtt -69.34 -46.85 66.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.511 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 p -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 109.879 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -62.25 -45.35 93.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.873 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.25 76.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.675 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.05 -41.98 97.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.319 0.581 . . . . 0.0 110.501 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.85 -20.14 65.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.1 mm-40 -91.96 -25.94 18.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.718 0.294 . . . . 0.0 111.403 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 p -90.59 -64.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.371 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -90.74 -46.82 8.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.161 0.505 . . . . 0.0 110.621 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.39 3.28 10.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -154.78 149.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.65 123.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.631 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 1.9 m-20 -60.8 -28.72 68.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.593 -172.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.631 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 5.7 tt0 105.0 -67.95 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.24 0 C-N-CA 124.804 1.242 . . . . 0.0 113.806 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -55.66 -31.23 78.75 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 122.101 1.867 . . . . 0.0 113.466 -171.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.3 t80 -57.21 -44.67 83.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -69.74 -33.24 55.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.757 -175.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -62.95 -48.65 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.505 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.89 -31.76 72.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.947 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.607 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.7 mm -60.28 -35.66 63.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 58.1 p -61.46 -35.46 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.149 0.499 . . . . 0.0 110.858 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -72.25 -32.59 66.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.578 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 126' ' ' MET . 90.3 mt -63.31 -50.74 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.53 -32.46 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.929 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.8 t -86.8 -4.53 59.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.895 -174.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 26.8 ptm -102.16 -40.76 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.248 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -68.12 -17.08 64.27 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.689 0.28 . . . . 0.0 111.362 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.74 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.76 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.431 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.8 mp0 -83.38 -26.54 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.266 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.08 -69.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.955 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 51.06 43.37 49.84 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.39 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.5 13.02 9.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.681 0.753 . . . . 0.0 110.574 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.428 HD22 ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.147 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.689 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.526 ' O ' HG22 ' B' ' 11' ' ' THR . 4.7 p . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 42.2 Cg_endo -69.8 6.43 1.33 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.351 2.034 . . . . 0.0 113.357 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 16.1 p90 -134.96 15.24 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 111.405 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.526 HG22 ' O ' ' B' ' 8' ' ' THR . 11.3 t -81.6 -8.96 59.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -155.93 147.48 16.94 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.959 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 55.8 Cg_exo -53.29 -35.49 74.59 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.264 2.643 . . . . 0.0 113.008 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.7 87.15 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.995 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -83.6 -35.3 24.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.646 -0.326 . . . . 0.0 110.451 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.23 80.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.343 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 6.4 pt-20 -73.19 -36.08 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.864 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -37.05 76.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.9 -45.3 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.221 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.0 mtt -76.5 -37.02 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.456 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -58.11 -57.04 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.432 177.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.442 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 8.0 t -69.93 -23.74 63.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.65 -50.16 74.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 93.4 mmm -66.23 -33.98 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 96.0 mt-30 -59.29 -48.58 81.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 110.031 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.83 72.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.367 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.428 HD11 ' CE1' ' B' ' 33' ' ' PHE . 19.9 tp -64.77 -34.42 78.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.638 0.256 . . . . 0.0 111.051 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -67.24 -9.22 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -112.05 17.3 19.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -103.97 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.326 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 -19.48 23.39 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 122.888 2.392 . . . . 0.0 112.869 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.42 -16.2 80.76 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.28 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.428 ' CE1' HD11 ' B' ' 27' ' ' LEU . 48.2 m-85 -118.95 151.12 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.561 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 p -119.44 169.89 9.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.43 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.27 70.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -65.16 -45.47 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.419 . . . . 0.0 110.647 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -66.71 -47.35 72.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.574 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.49 -38.04 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.925 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.88 -43.27 77.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.894 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -82.11 -41.03 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.126 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.4 ptm -77.09 -23.25 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -64.34 -29.53 70.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.549 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -66.15 -39.92 90.17 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 110.172 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.39 -38.88 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.924 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.25 -51.1 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.439 ' O ' HG23 ' B' ' 49' ' ' VAL . 2.3 pt20 -75.66 -23.12 56.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.234 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -66.09 -40.68 90.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.91 -45.34 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.549 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 46' ' ' GLN . 8.9 m -66.67 -39.84 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.017 -178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -66.95 -33.33 75.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.519 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 69.4 m -63.03 -52.07 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.13 -52.05 55.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.917 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -175.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -73.36 -28.97 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' B' ' 60' ' ' ARG . 67.0 mt -76.43 -33.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.221 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.34 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.35 -15.49 63.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . 0.444 ' HB2' ' HG2' ' B' ' 60' ' ' ARG . 49.5 mt-30 -105.13 -6.96 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.96 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 29.56 63.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.323 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.466 ' HB2' ' HB3' ' B' ' 55' ' ' LEU . 11.1 mmm180 -91.28 -8.79 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -79.98 143.78 33.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.28 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -146.25 151.58 44.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.34 -53.9 6.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.104 2.536 . . . . 0.0 112.853 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.85 -32.5 73.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 111.193 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 7.1 ttpt -71.82 -32.04 67.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.535 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -33.6 75.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.281 0.562 . . . . 0.0 109.733 174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.16 -35.49 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.55 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -67.38 -18.92 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.2 9.26 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.74 -48.23 4.36 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.415 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 94.4 mmm -66.56 -43.3 85.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 174.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 76' ' ' SER . . . -55.3 -31.82 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.97 -43.29 62.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.115 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.77 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.593 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -71.67 -42.52 67.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.043 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.405 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 7.8 m -71.16 -4.67 26.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.105 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 24.9 mmt -107.31 -6.52 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.009 0.433 . . . . 0.0 110.124 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.26 13.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.743 -175.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -74.72 -35.4 62.67 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.798 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mt -58.48 -45.71 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.31 -43.94 63.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.435 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.56 19.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' SER . . . . . 0.402 ' CB ' HD22 ' B' ' 133' ' ' ASN . 30.7 t -78.92 -60.23 2.46 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -170.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 155.9 38.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.577 0.703 . . . . 0.0 112.278 -170.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.9 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.183 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.58 -103.06 0.17 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.09 23.64 3.68 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.159 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.36 157.12 27.29 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.391 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 47.4 t -77.82 163.97 25.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.414 ' HA ' ' CE ' ' B' ' 93' ' ' LYS . 37.2 tp -59.77 -40.99 90.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.598 0.237 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -64.13 -39.65 94.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 m -64.17 -44.3 92.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.67 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 89' ' ' SER . 52.8 mtmt -61.67 -47.82 83.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.54 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.6 m -58.03 -46.15 85.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.146 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -68.54 -31.47 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.3 m -63.19 -46.13 88.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.686 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.22 -46.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.62 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.39 89.23 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.36 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -67.18 -42.23 84.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.472 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.495 ' SD ' HG13 ' B' ' 120' ' ' ILE . 51.2 mtt -69.47 -40.59 77.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -60.18 -37.42 80.14 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.7 t30 -62.48 -43.6 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.877 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.98 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.915 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.487 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.4 m-85 -66.34 -34.21 77.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 111.13 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.66 -17.53 59.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.6 mm-40 -86.37 -41.83 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.502 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.5 p -77.34 -73.54 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.845 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.6 t -91.9 -40.08 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.67 11.08 9.66 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.8 p -155.39 151.74 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.31 127.24 56.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.595 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 17.2 m120 -64.65 -41.08 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.791 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 10.5 tt0 102.88 -68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 125.399 1.48 . . . . 0.0 112.838 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.595 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 9.4 Cg_endo -50.98 -28.56 24.55 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.632 2.222 . . . . 0.0 113.427 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.458 ' O ' HG12 ' B' ' 120' ' ' ILE . 53.1 t80 -57.39 -48.15 79.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.994 0.426 . . . . 0.0 110.192 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.84 -31.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.093 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.38 -33.22 75.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.595 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.507 ' HA ' HE21 ' B' ' 122' ' ' GLN . 32.9 mm-40 -77.83 -23.44 48.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' B' ' 101' ' ' MET . 29.8 mm -71.66 -40.59 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 -175.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 13.3 p -61.36 -33.54 73.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 0.0 111.368 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.507 HE21 ' HA ' ' B' ' 119' ' ' GLU . 44.2 mt-30 -69.52 -37.18 77.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.11 -39.49 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 26.3 t -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 -178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.5 ptm -77.01 -36.97 55.93 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.706 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -69.94 -15.62 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.371 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.18 96.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.072 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.72 -24.41 44.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.549 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.305 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.74 36.37 49.1 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.17 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -84.58 9.85 12.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.47 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.29 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.161 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 40.7 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.23 4.6 1.88 Allowed 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.686 2.258 . . . . 0.0 112.932 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -138.63 18.05 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.258 . . . . 0.0 111.611 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.433 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -84.11 -14.48 50.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 178.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.42 147.35 33.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.88 -34.72 92.5 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.102 2.534 . . . . 0.0 112.889 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.4 30.83 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.779 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.65 -30.37 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.41 -0.465 . . . . 0.0 110.741 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.0 -39.64 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.696 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -57.45 -37.5 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.78 -52.78 62.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 22.5 ptp -78.34 -27.4 47.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.422 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -67.43 -41.13 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.987 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 p -73.69 -34.69 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.283 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.33 -52.65 64.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.7 mmm -59.92 -40.75 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.605 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 -38.01 89.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.077 0.465 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.19 56.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.02 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.86 -29.55 68.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -68.22 -2.29 7.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 t -115.44 15.53 16.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 110.209 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -102.87 134.54 19.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.81 -25.79 60.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.084 2.523 . . . . 0.0 113.159 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' A' ' 93' ' ' LYS . . . -74.5 -4.05 68.52 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.665 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.74 155.44 39.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.578 0.689 . . . . 0.0 112.223 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.4 p -118.87 155.94 30.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.535 -177.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.61 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.028 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -65.37 -37.7 87.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.469 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.05 -32.09 23.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.9 mt -61.33 -36.59 80.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.509 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.66 -47.16 83.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.037 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' OD2' ' HG3' ' B' ' 65' ' ' LYS . 1.5 m-20 -71.41 -41.62 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.273 -176.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -75.98 -28.05 57.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 0.0 110.771 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -69.36 -26.97 64.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.2 m -65.9 -39.95 91.08 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 176.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 48' ' ' MET . 53.4 mt -66.95 -39.45 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.368 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -46.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -75.17 -14.98 60.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.481 -178.351 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.551 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 46.0 m -81.68 -35.34 29.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.445 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 78.0 mmm -70.07 -48.98 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.793 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 46' ' ' GLN . 32.1 m -64.56 -32.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 47' ' ' SER . 2.9 pt20 -69.27 -34.48 74.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -70.98 -39.93 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.095 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 81.0 mt -61.68 -48.68 87.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.68 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.07 -37.21 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.028 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -60.28 -43.38 96.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 0.0 109.673 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -38.27 90.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.79 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.72 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 24.5 mt-30 -90.48 -9.41 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.3 32.71 72.32 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.265 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 54.5 mtp180 -111.05 23.48 14.07 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -177.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.2 p -77.7 136.51 38.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.747 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 m -143.64 147.6 39.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.25 -48.83 18.71 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.716 2.277 . . . . 0.0 112.694 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.22 -45.3 77.22 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -56.67 -36.25 69.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.177 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.12 -40.2 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.828 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.639 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.5 tt0 -65.7 -37.48 86.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.787 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.79 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.074 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.36 -29.79 22.68 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.98 -53.76 53.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.455 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.7 mmm -70.88 -30.39 66.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.227 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.419 ' HB1' ' HE3' ' A' ' 48' ' ' MET . . . -60.06 -45.24 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 77' ' ' MET . 90.3 t80 -62.13 -49.51 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.481 177.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.79 75.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.667 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -75.61 -38.52 58.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.424 ' HG ' ' HB1' ' B' ' 72' ' ' ALA . 47.8 m -61.59 -38.79 88.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.889 0.376 . . . . 0.0 110.8 175.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -66.15 -34.37 77.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.311 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.99 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.215 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.54 -58.1 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.07 -34.92 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.199 0.523 . . . . 0.0 111.136 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.75 -38.14 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.442 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.83 -29.32 44.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.25 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -74.98 -55.86 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.669 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 32.9 mt-10 -120.07 134.97 55.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.274 0.559 . . . . 0.0 111.003 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.88 -54.51 3.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.49 -174.345 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.52 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . 80.79 -106.59 2.56 Favored Glycine 0 C--N 1.299 -1.505 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.915 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.47 2.17 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.95 129.35 2.23 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.2 m -65.88 154.96 37.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 0.151 . . . . 0.0 110.73 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.14 -48.22 53.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.858 0.463 . . . . 0.0 111.098 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 m -60.42 -39.92 89.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -66.67 -39.74 88.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 89' ' ' SER . 26.6 mtpp -65.02 -40.16 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 m -60.45 -46.14 91.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -65.18 -35.77 82.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.473 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.2 m -60.25 -46.86 88.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.816 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.11 -44.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.892 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.53 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.554 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -67.97 -33.11 74.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.95 58.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.86 -48.4 76.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.687 0.28 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 p -64.17 -33.05 74.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.503 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.3 t30 -65.17 -40.26 94.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.44 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.352 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -67.19 -34.75 78.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 102' ' ' SER . 85.8 mt -71.83 -19.21 62.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.1 mm-40 -87.61 -36.85 17.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -86.58 -76.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.619 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.4 p -79.97 -43.42 22.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.59 2.69 24.15 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.21 150.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.577 -0.311 . . . . 0.0 110.3 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 114' ' ' GLN . 19.1 t -88.1 131.92 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 18.8 m120 -69.05 -16.84 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.534 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 57.7 tt0 102.17 -79.61 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 125.058 1.343 . . . . 0.0 113.521 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 113' ' ' ASN . 42.3 Cg_endo -64.39 -12.64 34.1 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 121.956 1.771 . . . . 0.0 113.572 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.2 t80 -62.04 -48.97 77.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.817 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.7 mm -66.97 -30.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.201 0.524 . . . . 0.0 110.586 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.7 -33.96 76.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.375 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.29 -33.47 20.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.658 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.6 mm -60.53 -38.02 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.1 p -66.29 -28.27 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 111.033 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -81.07 -30.48 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 126' ' ' MET . 92.2 mt -62.26 -50.54 71.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.69 -29.74 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.409 0.623 . . . . 0.0 109.897 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 t -84.76 0.23 51.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.932 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 27.3 ptm -110.65 -40.68 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.396 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -65.62 -25.49 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 111.125 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.99 89.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.694 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.426 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.2 mp0 -82.0 -23.41 36.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.352 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.37 43.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.14 25.46 66.39 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.642 -0.708 . . . . 0.0 113.826 173.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -82.46 10.97 6.14 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.862 0.839 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.562 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.308 -1.231 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.051 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.25 5.15 1.27 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.612 2.208 . . . . 0.0 112.946 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.41 19.56 3.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.651 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.5 t -76.14 -21.36 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.408 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 33.1 p30 -146.28 156.89 49.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.823 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 12.4 Cg_endo -56.85 -32.05 90.8 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.698 2.265 . . . . 0.0 112.85 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.06 -56.64 23.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.92 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.12 -29.39 66.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.61 -0.347 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.81 80.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 7.7 pt-20 -73.74 -26.71 60.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 111.204 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.87 -25.63 67.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -58.48 -59.29 5.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.058 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -77.19 -19.98 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.062 -176.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -41.24 80.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.762 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 p -79.07 -30.97 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.454 ' CE2' HD21 ' B' ' 27' ' ' LEU . 83.7 t80 -57.8 -55.31 36.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.41 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.89 -36.93 77.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.691 -0.232 . . . . 0.0 111.515 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.47 -43.91 93.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.82 -36.9 46.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.269 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.454 HD21 ' CE2' ' B' ' 23' ' ' PHE . 28.8 tp -65.35 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -66.15 -6.3 12.91 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.592 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -112.25 9.53 20.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.008 0.433 . . . . 0.0 110.137 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -96.17 142.65 24.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.043 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.33 -20.54 16.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.034 2.489 . . . . 0.0 112.804 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.51 99.81 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.12 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.58 156.52 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.842 0.353 . . . . 0.0 111.191 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.571 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 69.8 p -112.51 167.06 10.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.61 78.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.451 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 21.1 p -64.28 -39.86 94.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.571 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 11.7 mm100 -82.73 -36.77 25.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 110.512 -175.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.432 HD22 ' SD ' ' B' ' 41' ' ' MET . 84.9 mt -62.26 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 177.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.6 -27.61 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.067 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.78 -46.77 11.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.267 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.432 ' SD ' HD22 ' B' ' 38' ' ' LEU . 9.9 ptm -71.3 -20.07 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -174.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -63.56 -27.14 69.05 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 26.4 m -65.28 -47.54 76.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.965 0.412 . . . . 0.0 110.394 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.08 -34.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.442 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.06 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.326 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.7 OUTLIER -80.3 -20.33 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.501 -178.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' B' ' 50' ' ' GLN . 66.0 m -72.47 -41.52 65.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.917 0.389 . . . . 0.0 110.283 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.496 ' O ' HG13 ' B' ' 52' ' ' ILE . 87.9 mmm -62.53 -44.22 96.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -69.06 -34.45 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 47' ' ' SER . 2.8 pt20 -76.81 -31.35 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.817 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 66.6 m -68.0 -38.77 83.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 48' ' ' MET . 86.2 mt -62.21 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.966 0.412 . . . . 0.0 110.097 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.99 -37.06 85.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.3 t -62.68 -43.87 97.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.999 0.428 . . . . 0.0 109.894 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 51' ' ' SER . 90.2 mt -61.87 -37.56 85.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.4 -42.4 98.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.82 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.263 0.554 . . . . 0.0 110.782 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -82.0 -9.02 59.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.543 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.9 30.66 67.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.137 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -108.39 19.71 19.5 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.989 0.423 . . . . 0.0 110.693 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -83.22 124.15 30.26 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -146.32 149.76 38.92 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.98 -33.71 53.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.113 2.542 . . . . 0.0 112.472 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.28 -61.74 2.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.425 ' HG3' ' OD2' ' A' ' 40' ' ' ASP . 26.2 mtmm -65.17 -30.92 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.929 -176.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.53 -37.94 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.911 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.562 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.7 tt0 -70.46 -35.99 73.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.178 0.513 . . . . 0.0 109.947 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -25.52 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.921 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.46 5.12 51.51 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.812 0.815 . . . . 0.0 109.594 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.68 -53.27 4.1 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.46 -37.41 87.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.581 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.426 ' HB3' ' HE3' ' B' ' 48' ' ' MET . . . -55.99 -39.03 71.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.358 . . . . 0.0 111.402 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.5 ' O ' ' HG2' ' B' ' 77' ' ' MET . 86.2 t80 -68.38 -45.8 71.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.052 0.453 . . . . 0.0 109.98 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.97 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.421 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.3 p -79.47 -33.45 42.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.4 t -63.94 -39.59 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.427 . . . . 0.0 110.12 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 28.8 mmt -68.47 -29.02 67.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.78 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.682 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 83' ' ' SER . 2.4 tm-20 -57.93 -59.56 5.06 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.01 -45.86 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.12 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.808 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.85 -4.62 49.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.233 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -76.14 -53.86 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -176.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -119.23 -166.49 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -178.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.02 -163.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.452 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.31 -140.55 2.9 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -28.59 13.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.339 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.06 -149.95 19.51 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.139 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.9 m -96.14 173.57 7.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.11 -47.64 85.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -63.29 -27.99 69.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.787 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.5 m -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.019 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 52.0 mtpt -63.39 -37.96 89.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.5 m -56.75 -49.09 76.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -75.15 -27.95 59.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -59.24 -42.49 91.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 110.518 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' B' ' 101' ' ' MET . 67.1 mt -67.17 -47.62 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.173 177.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.77 85.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 8.6 t -65.46 -38.22 89.17 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 110.672 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.08 -32.78 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.705 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 22.2 mmt -63.02 -47.76 81.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -61.39 -30.52 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.606 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 4.0 t30 -68.94 -43.07 75.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 176.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.5 84.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.623 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.4 m-85 -66.6 -33.7 76.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.411 . . . . 0.0 111.118 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.13 -21.25 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 80.6 mm-40 -82.48 -46.22 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.817 0.341 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -71.16 -75.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.864 -178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.7 t -92.69 -38.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.382 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.91 8.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.923 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.9 p -156.79 151.73 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.06 137.41 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.357 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.543 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 18.9 m120 -69.1 -33.62 73.8 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 119.547 -0.263 . . . . 0.0 111.574 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 43.7 tt0 103.42 -69.72 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 125.178 1.391 . . . . 0.0 113.204 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 25.8 Cg_exo -62.02 -28.39 80.41 Favored 'Trans proline' 0 C--N 1.364 1.388 0 CA-C-N 121.398 1.535 . . . . 0.0 112.56 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.629 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.4 t80 -54.2 -50.29 67.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.61 -40.78 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.91 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -65.93 -44.2 85.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.749 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.42 -35.76 80.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.579 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.629 HG12 ' O ' ' B' ' 116' ' ' PHE . 31.9 mm -62.02 -39.1 82.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 111.308 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 44.5 p -63.94 -32.97 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 110.524 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.78 -34.38 66.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.17 -58.8 6.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.34 -34.33 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.199 0.523 . . . . 0.0 110.41 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -65.11 -50.28 66.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.98 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 28.3 ptm -69.27 -34.31 74.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.461 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.92 -24.05 66.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.637 0.256 . . . . 0.0 111.404 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.8 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.302 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.437 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.36 64.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.96 25.43 69.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.436 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -103.88 18.02 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.449 0.642 . . . . 0.0 110.526 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.639 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' H ' ' HB ' ' A' ' 11' ' ' THR . 27.0 p . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.79 -1.96 6.84 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.492 2.128 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -133.71 23.17 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.747 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 8' ' ' THR . 11.6 t -68.36 -24.93 64.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.548 -177.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.425 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 5.8 p30 -150.76 157.01 36.21 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.611 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.5 Cg_endo -50.34 -37.78 51.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.279 2.653 . . . . 0.0 113.146 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.77 12.34 3.8 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 113.811 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.7 mt -128.75 -38.82 1.66 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.95 83.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.9 pt-20 -73.04 -36.87 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.856 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -68.51 -26.32 65.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.5 -45.28 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.022 0.439 . . . . 0.0 109.919 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 mtt -64.25 -46.08 85.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.603 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.4 m-80 -58.07 -49.37 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.756 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -62.51 -36.83 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.148 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.82 -52.64 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.55 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.457 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 22.3 mt-30 -71.38 -15.72 62.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.68 -41.51 2.69 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.096 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -65.06 -24.57 67.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.77 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 p -58.52 -23.46 58.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.428 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -114.43 26.74 9.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -96.87 139.34 21.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.517 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 -18.65 35.2 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.103 2.535 . . . . 0.0 113.155 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.98 -8.23 87.68 Favored Glycine 0 C--N 1.319 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.187 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -125.21 141.16 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 111.488 -175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.9 p -104.63 165.54 10.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.748 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.24 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -84.77 -35.33 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -68.05 -50.48 54.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.116 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.67 -38.65 78.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.122 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.98 -39.52 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.407 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -77.66 -41.51 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.354 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -78.9 -22.85 45.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -60.82 -15.85 34.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.14 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -63.03 -51.49 66.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 0.0 110.97 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.57 -23.82 28.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.936 -174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -42.38 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.71 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HA ' HG22 ' A' ' 49' ' ' VAL . 11.8 mt-30 -89.16 -29.33 19.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.554 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -61.2 -40.95 95.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.96 -42.25 49.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.8 m -68.79 -36.55 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.391 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.51 -26.02 62.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.555 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 39.0 t -69.13 -46.78 66.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.674 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.63 -44.7 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.81 -35.24 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.186 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.3 m -66.96 -43.15 83.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.081 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.26 -35.24 80.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.733 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.28 94.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.745 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.37 65.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.688 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.03 -16.38 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.707 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 29.55 61.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.322 -0.466 . . . . 0.0 112.374 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -105.87 13.01 30.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 0.0 110.314 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.0 p -78.86 116.37 19.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.44 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 6.5 m -138.29 155.77 73.94 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 -176.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.82 -19.7 26.02 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.29 2.66 . . . . 0.0 113.535 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 62' ' ' SER . 1.9 p30 -90.01 -46.66 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -46.39 80.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.03 -25.72 55.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.378 -176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' OE1' ' HB3' ' B' ' 133' ' ' ASN . 7.4 tt0 -66.55 -46.41 76.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.591 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.27 1.83 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.297 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.9 mt -112.89 0.64 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -86.81 -52.6 5.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.425 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 43.5 mtp -83.35 -22.09 32.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.337 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.83 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 0.0 110.421 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 77' ' ' MET . 85.6 t80 -70.82 -45.55 64.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.517 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.84 85.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.458 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.4 ' HA ' HD13 ' A' ' 123' ' ' LEU . 9.2 p -73.09 -40.22 65.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.026 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.712 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.522 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 30.8 mmt -67.23 -40.13 86.31 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.036 -0.415 . . . . 0.0 110.325 176.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.2 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.104 0.478 . . . . 0.0 109.802 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.513 ' OE2' ' HB2' ' B' ' 71' ' ' MET . 34.2 tt0 -52.82 -59.8 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.862 176.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.1 mt -58.7 -45.37 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.989 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.06 92.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.372 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.35 -17.56 56.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.231 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -65.73 -64.48 0.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -132.9 133.29 43.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.656 0.741 . . . . 0.0 110.609 -174.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' HZ3' ' A' ' 93' ' ' LYS . 7.5 tp10 -86.13 161.26 18.96 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.72 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.49 -28.75 0.12 Allowed Glycine 0 N--CA 1.437 -1.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.741 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.84 -59.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.417 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.13 22.35 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.401 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 16.4 m -53.68 151.37 6.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -170.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.16 -50.92 47.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -61.84 -34.79 76.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.967 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 6.4 m -68.46 -35.28 77.35 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.486 ' HZ3' ' CD ' ' A' ' 85' ' ' GLU . 58.8 mttp -60.31 -42.22 95.09 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.026 176.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -53.08 -51.21 62.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.974 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -70.19 -32.94 71.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -62.97 -50.19 71.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 101' ' ' MET . 56.5 mt -64.85 -41.78 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.414 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.71 78.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.301 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -64.36 -42.06 96.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.385 . . . . 0.0 110.219 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.636 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -66.11 -30.18 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.7 mmt -71.01 -46.97 61.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.979 0.419 . . . . 0.0 110.173 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 p -64.14 -33.49 75.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.901 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.636 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.2 p-10 -81.31 -25.02 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.343 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.13 72.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.815 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.1 m-85 -61.8 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.54 -19.93 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 68.1 mm-40 -84.41 -36.42 22.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.931 0.396 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 -75.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.141 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -88.75 -37.51 15.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.22 15.89 16.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.951 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.602 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -152.86 149.9 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.91 131.58 52.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.57 113.52 23.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.496 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.6 tp60 -65.54 -52.19 45.94 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -56.09 -33.62 90.45 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.073 1.849 . . . . 0.0 112.015 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.1 t80 -60.21 -52.86 63.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.192 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.1 mm -61.67 -33.9 59.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.834 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.25 -46.86 81.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 43.4 mm-40 -64.26 -31.87 73.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.4 mm -59.68 -36.05 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.226 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -66.39 -23.68 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 111.199 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.07 -39.39 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.431 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 75' ' ' SER . 91.5 mt -56.92 -53.31 59.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.329 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.05 -28.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 111.034 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -96.98 3.5 51.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.768 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -108.11 -41.06 5.02 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.337 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -65.01 -21.6 66.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 111.654 -176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.084 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.34 -22.36 41.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.666 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.46 -46.37 63.03 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.25 0.548 . . . . 0.0 110.624 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.83 7.23 74.82 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.845 170.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -80.97 -0.72 40.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 122.082 0.944 . . . . 0.0 110.464 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.574 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.353 0.121 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.72 -1.3 7.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.928 2.418 . . . . 0.0 112.054 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -130.85 21.73 4.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.327 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.1 t -66.81 -16.81 64.53 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.694 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -137.03 151.66 72.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.95 -35.25 70.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.223 2.615 . . . . 0.0 113.203 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.84 70.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.863 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.2 -30.69 66.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 0.0 110.703 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.17 82.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.28 -30.45 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.39 -39.52 83.63 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.785 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.0 -48.05 76.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.724 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.7 mtt -70.68 -44.08 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.565 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 30.4 m-80 -60.12 -47.13 87.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.818 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -64.55 -34.03 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' B' ' 27' ' ' LEU . 75.8 t80 -61.37 -51.04 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.747 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.25 -34.02 76.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.8 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 25.2 mt-30 -67.39 -25.62 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 111.202 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.21 -25.6 13.9 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.1 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -78.43 -28.05 46.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.861 0.363 . . . . 0.0 111.29 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -60.58 -27.12 67.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.555 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -99.14 9.06 44.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.778 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.9 mmt -85.69 132.17 45.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.246 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.96 -17.41 32.15 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.868 2.379 . . . . 0.0 112.578 -177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . 0.569 ' O ' ' HG2' ' B' ' 93' ' ' LYS . . . -70.69 -12.79 70.95 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.762 -176.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.17 158.72 27.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.641 0.721 . . . . 0.0 111.516 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.574 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 22.7 p -111.23 160.36 17.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.021 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.35 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.722 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.1 m -66.76 -53.53 32.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.587 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.574 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 6.9 pt20 -75.53 -18.18 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.592 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 34' ' ' THR . 40.9 mt -63.73 -30.47 71.57 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.633 174.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.51 -44.49 82.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.985 0.421 . . . . 0.0 110.071 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' HA ' ' B' ' 37' ' ' GLN . 38.2 m-20 -57.83 -47.46 82.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.671 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.47 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 4.6 ptm -79.48 -25.82 41.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.335 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -66.4 -38.87 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.522 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.6 m -63.89 -49.38 72.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.301 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -65.26 -34.92 73.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.475 ' O ' HG11 ' B' ' 49' ' ' VAL . . . -49.74 -55.34 14.32 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.553 175.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.418 ' HA ' HG22 ' B' ' 49' ' ' VAL . 14.4 mt-30 -69.71 -31.89 70.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.524 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.555 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 46.1 m -61.19 -41.63 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 0.0 110.442 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 91.6 mmm -71.0 -45.57 63.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.952 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.475 HG11 ' O ' ' B' ' 45' ' ' ALA . 8.9 m -63.72 -37.09 78.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.9 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.43 -27.48 56.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.686 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -68.67 -37.54 79.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.33 -44.26 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.323 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.518 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 57.0 m -65.04 -39.64 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.66 -42.12 96.4 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.604 0.24 . . . . 0.0 110.611 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.97 95.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.591 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.64 -28.59 64.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.81 -8.78 58.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 28.11 60.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.915 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -133.37 65.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.44 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.02 121.87 46.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.086 174.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.453 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 3.7 m -137.76 160.38 65.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.877 -175.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 18.6 Cg_endo -53.92 -44.16 51.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.248 2.632 . . . . 0.0 112.476 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -80.08 -27.33 39.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.01 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.423 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 1.5 tppt? -68.11 -46.16 71.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.337 0.589 . . . . 0.0 110.068 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 64.0 mt -72.85 -28.2 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.02 -45.29 89.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.532 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.17 79.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.59 7.91 24.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.217 0.532 . . . . 0.0 110.34 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -94.69 -54.64 3.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.247 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.513 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 22.4 mtp -76.8 -25.93 53.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.492 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.26 70.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.336 0.588 . . . . 0.0 110.515 173.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.582 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.7 t80 -72.64 -43.82 62.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.573 174.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.84 92.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.437 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -70.86 -42.24 70.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -56.88 -40.82 76.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.571 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -66.19 -35.98 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.398 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.22 81.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.209 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 43.2 mt-10 -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.762 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.48 -46.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.079 0.466 . . . . 0.0 111.004 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.94 92.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.452 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.76 -13.57 59.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.984 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 10.7 t -71.79 -63.28 1.16 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.947 0.403 . . . . 0.0 109.994 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.66 127.09 36.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.567 . . . . 0.0 110.47 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 17.0 pt-20 -84.56 -36.86 21.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.814 0.816 . . . . 0.0 110.17 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.83 -113.65 6.07 Favored Glycine 0 C--N 1.299 -1.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 112.429 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.86 58.01 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -113.22 113.78 3.24 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.593 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 50.8 m -62.22 145.22 54.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.715 0.258 . . . . 0.0 111.54 -171.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.19 -51.21 8.35 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.51 0.724 . . . . 0.0 111.976 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -58.47 -39.7 80.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.983 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -67.3 -39.24 85.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 89' ' ' SER . 21.1 mtpp -62.43 -39.54 93.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.127 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -59.25 -47.54 84.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -68.23 -33.08 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.6 m -59.82 -47.02 87.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.7 -45.48 81.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.83 89.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.773 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -75.86 -17.94 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.34 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -90.54 -31.27 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.61 -45.47 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.61 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -59.56 -34.79 73.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.222 0.534 . . . . 0.0 110.673 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.4 t30 -59.56 -53.82 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.378 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.67 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.844 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.54 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 23.0 m-85 -65.2 -38.16 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.214 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.49 -14.43 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 73.1 mm-40 -89.57 -31.64 17.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.0 p -92.66 -78.68 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.864 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -84.81 -30.48 24.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.98 10.9 35.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.59 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -151.31 151.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 131.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.855 0.359 . . . . 0.0 111.193 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -87.35 105.72 17.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.661 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -58.54 -50.19 89.36 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.585 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 9.9 Cg_endo -53.47 -39.03 83.59 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.263 1.975 . . . . 0.0 112.469 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.609 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.7 t80 -59.72 -51.2 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.322 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.86 -37.66 72.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.88 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.72 -45.49 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.769 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.24 -30.64 71.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.896 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.609 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -62.25 -41.1 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.045 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -66.11 -28.07 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -74.0 -34.14 64.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.093 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.04 -50.72 70.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 t -59.54 -39.82 80.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.307 0.575 . . . . 0.0 110.141 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 27.5 t -63.87 -48.73 75.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.31 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.538 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 23.6 ptm -66.39 -44.81 82.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.561 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . 0.408 ' N ' ' HG3' ' B' ' 126' ' ' MET . 25.6 m-85 -65.72 -25.34 67.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.55 73.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.737 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.538 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.4 mt-30 -84.94 -25.02 28.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.683 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.95 -60.11 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.612 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.36 74.26 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.852 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -81.2 12.81 3.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.742 0.782 . . . . 0.0 110.987 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.474 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.871 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.6 -11.46 23.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.624 2.216 . . . . 0.0 112.891 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 p90 -126.17 22.54 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -76.87 -14.84 59.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -146.33 148.14 33.54 Favored Pre-proline 0 C--O 1.234 0.282 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.425 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 11.5 Cg_endo -56.98 -33.92 96.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.88 2.387 . . . . 0.0 113.095 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.65 65.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.867 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.03 -33.4 70.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.651 -0.323 . . . . 0.0 110.808 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.94 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.863 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 15.3 pt-20 -75.37 -27.37 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.558 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 m-20 -67.47 -35.06 78.44 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -54.69 -35.14 63.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.492 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.44 -57.6 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.508 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.558 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 10.2 p30 -70.54 -38.61 74.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.097 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.8 m -63.12 -25.94 68.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 110.946 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CE2' HD22 ' A' ' 27' ' ' LEU . 70.7 t80 -78.83 -50.66 10.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.349 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.4 ' HE3' ' HG3' ' A' ' 41' ' ' MET . 89.8 mmm -63.36 -37.41 87.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.08 -175.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.9 mm-40 -57.18 -42.36 81.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.1 -37.8 24.19 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.278 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 23' ' ' PHE . 30.3 tp -68.49 -30.6 69.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.241 . . . . 0.0 111.411 -176.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -62.48 -23.32 66.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 p -104.81 15.18 28.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.343 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.9 mmt -96.63 148.41 34.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.6 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.85 160.3 43.64 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.328 2.019 . . . . 0.0 111.378 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.05 -41.87 2.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.418 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.7 m-85 -89.27 162.96 15.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -120.5 155.01 34.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.437 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -15.33 48.51 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -99.73 -27.26 13.74 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -76.24 -27.18 56.66 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.236 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 2.0 mm? -68.43 -36.37 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.092 178.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.16 -41.17 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 -175.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 17.0 t70 -70.16 -44.81 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.083 0.468 . . . . 0.0 110.002 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.458 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.2 ptm -74.38 -29.61 61.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.032 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -69.16 -25.08 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.472 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 m -74.98 -39.46 61.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 48' ' ' MET . 54.6 mt -62.98 -36.56 76.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.046 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -48.67 -57.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.277 175.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.5 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 13.5 mt-30 -70.08 -21.81 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.731 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -67.6 -35.92 79.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.474 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.4 mmm -74.91 -36.91 62.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.482 0.658 . . . . 0.0 109.339 175.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 41.9 t -62.77 -55.42 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.062 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.97 -20.24 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.162 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' OG ' ' B' ' 47' ' ' SER . 10.4 p -74.87 -38.1 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 48' ' ' MET . 80.0 mt -56.77 -47.73 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 172.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.19 -36.93 81.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.847 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 m -71.55 -29.18 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.341 . . . . 0.0 110.252 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.27 -42.04 76.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.25 68.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.992 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -80.5 -22.38 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.827 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.13 42.14 12.7 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.995 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HE ' HG21 ' B' ' 43' ' ' THR . 9.1 ptm180 -131.52 20.37 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.82 124.72 25.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.361 176.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 15.5 m -143.06 158.2 59.21 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 17.8 Cg_endo -54.29 -44.96 44.63 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.106 2.537 . . . . 0.0 112.131 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -71.91 -31.79 66.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.02 -174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -42.94 75.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 110.286 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.6 mt -68.26 -41.54 80.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.37 -54.71 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.084 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.97 -32.79 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.526 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.25 -30.82 67.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.786 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.1 -48.01 83.64 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.64 -36.74 70.82 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.704 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -57.76 -39.47 77.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.143 0.496 . . . . 0.0 110.267 175.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 77' ' ' MET . 70.0 t80 -67.63 -50.7 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.18 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.03 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.507 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 t -68.06 -45.53 73.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.452 ' O ' HG13 ' A' ' 80' ' ' ILE . 11.4 p -69.14 -35.95 76.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.911 0.386 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.4 mmt -65.02 -37.78 88.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.63 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.35 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 73.3 tt0 -58.75 -55.55 33.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 177.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 76' ' ' SER . 29.6 mt -58.35 -38.13 67.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.645 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . . . -68.77 -47.84 65.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.415 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -26.95 65.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.953 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' ND2' ' A' ' 133' ' ' ASN . 8.2 t -55.09 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.953 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -140.94 146.45 37.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.684 0.754 . . . . 0.0 112.17 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -98.87 -166.09 1.32 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.162 172.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -49.32 0.44 Allowed Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.573 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.6 9.6 73.63 Favored Glycine 0 CA--C 1.504 -0.644 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 85' ' ' GLU . . . 170.39 -179.43 42.53 Favored Glycine 0 N--CA 1.436 -1.338 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 m -77.38 167.56 21.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 117.134 0.467 . . . . 0.0 110.243 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.25 -46.66 79.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.45 85.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -58.09 -50.11 74.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 85' ' ' GLU . 7.7 ptmm? -82.97 2.36 35.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -86.88 -51.7 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -63.14 -31.0 72.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.671 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 t -52.94 -48.71 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.742 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.72 -45.83 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.01 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.648 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -72.15 -33.42 67.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.15 -31.11 30.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.326 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.2 mmt -60.46 -47.66 85.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.178 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 p -63.35 -33.54 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.676 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.3 t30 -63.77 -44.5 93.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.569 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.82 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.799 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.515 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 54.8 m-85 -68.14 -37.36 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.05 0.452 . . . . 0.0 110.961 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.53 -19.92 62.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.3 mm-40 -88.18 -23.21 23.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.953 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -94.93 -72.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.729 0.3 . . . . 0.0 111.73 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.9 p -89.64 -43.16 10.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.51 22.62 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.515 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 13.4 p -129.63 146.88 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.402 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.53 127.6 74.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -74.27 114.82 13.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.264 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 9.8 tt0 -56.63 -53.7 61.68 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.769 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.69 -37.95 84.27 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.346 2.031 . . . . 0.0 112.833 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 120' ' ' ILE . 56.7 t80 -57.36 -52.83 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.0 mm -59.49 -39.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.007 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.27 -42.91 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 15.9 mm-40 -70.25 -29.62 66.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.091 -174.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 116' ' ' PHE . 51.6 mm -56.09 -34.57 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.612 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -60.79 -33.15 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.55 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 119' ' ' GLU . 47.4 mt-30 -70.0 -32.5 70.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.98 -54.19 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.73 -38.45 75.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.221 0.534 . . . . 0.0 110.13 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.0 t -63.67 -48.91 75.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.499 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.6 ptm -68.57 -38.84 81.06 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -66.82 -16.76 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.462 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.27 95.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.793 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.1 mp0 -78.12 -27.78 48.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 178.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.61 -62.44 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.333 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.28 4.33 50.07 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.747 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.73 5.19 22.19 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.675 0.75 . . . . 0.0 111.129 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 83' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.608 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.575 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.7 p . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.94 -15.62 50.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.7 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -122.02 25.65 8.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.575 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.0 t -75.38 -26.62 58.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -140.11 151.94 66.16 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 50.9 Cg_exo -55.11 -33.39 83.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.117 2.545 . . . . 0.0 113.138 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.74 -10.13 60.41 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.38 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -109.57 -33.63 6.73 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.91 0.386 . . . . 0.0 109.974 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.06 89.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.945 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -86.1 -16.63 37.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.203 -179.149 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.438 ' HA ' ' ND2' ' B' ' 21' ' ' ASN . 1.1 t-20 -61.97 -35.11 77.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 176.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -56.32 -40.91 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 175.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -61.73 -53.75 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.846 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.6 p30 -72.22 -37.48 69.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -174.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.8 p -68.21 -40.02 82.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.12 -49.77 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.644 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mmm -61.4 -39.94 92.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 76.1 mt-30 -64.39 -46.74 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.284 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.546 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -63.86 -44.71 95.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.257 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.462 ' HA ' ' CG ' ' B' ' 30' ' ' MET . 30.5 tp -65.68 -28.85 69.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -65.29 -15.56 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -111.64 13.43 21.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.281 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 24.5 mmt -101.69 148.73 35.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.268 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.96 151.76 35.67 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.292 1.995 . . . . 0.0 111.231 174.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 -16.09 49.68 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.726 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' B' ' 93' ' ' LYS . 47.3 m-85 -122.76 130.52 53.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.962 0.41 . . . . 0.0 111.21 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.0 p -88.12 156.21 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -10.65 15.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -94.2 -27.16 16.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.31 -35.94 30.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.473 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.09 -36.37 77.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.489 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.89 -42.45 98.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.148 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' B' ' 43' ' ' THR . 12.5 t70 -69.03 -44.7 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.034 -175.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.49 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 10.8 ptm -77.96 -25.58 48.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.277 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.5 t -65.35 -24.01 67.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 109.739 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 74.7 m -64.28 -43.01 96.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.43 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mt -69.47 -37.21 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.346 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -52.38 -59.15 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.905 0.383 . . . . 0.0 110.651 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -32.28 70.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.093 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.538 ' OG ' ' HB2' ' A' ' 51' ' ' SER . 8.0 t -65.26 -43.36 91.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.905 0.384 . . . . 0.0 110.027 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.42 ' HE3' ' HB3' ' B' ' 72' ' ' ALA . 75.8 mmm -72.65 -40.87 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.35 0.595 . . . . 0.0 109.59 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 45' ' ' ALA . 36.5 t -55.01 -46.52 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.808 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.85 -26.29 40.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.861 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 72.9 m -65.13 -42.98 93.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 173.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -57.36 -44.71 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.669 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.05 -32.91 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.3 m -69.63 -34.29 73.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.578 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.88 -38.22 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.226 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.2 91.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.412 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.45 83.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.14 -27.07 53.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.094 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.65 33.95 6.84 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.795 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 35.24 4.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.33 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.63 121.66 30.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.459 0.647 . . . . 0.0 111.064 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.4 m -128.39 150.36 74.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.78 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.76 -41.48 69.46 Favored 'Trans proline' 0 C--O 1.224 -0.216 0 C-N-CA 122.736 2.291 . . . . 0.0 112.435 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.41 -46.27 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.412 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.53 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 27.6 mtmm -62.42 -41.25 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.612 0.244 . . . . 0.0 111.376 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.86 -42.91 89.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.134 0.492 . . . . 0.0 109.807 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -56.37 -55.48 33.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.388 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.453 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -62.16 -31.64 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.457 -177.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 mt -68.43 -30.24 69.08 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.599 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.85 -44.42 93.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 97.0 mmm -74.6 -36.61 62.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.42 ' HB3' ' HE3' ' B' ' 48' ' ' MET . . . -56.55 -40.18 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 109.887 174.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.4 t80 -66.94 -47.94 70.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.465 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.81 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.492 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -67.13 -49.4 64.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.464 ' O ' HG13 ' B' ' 80' ' ' ILE . 6.7 p -64.78 -36.13 83.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 110.883 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.4 mmt -62.64 -37.17 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.208 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.65 80.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.663 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.709 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 85.6 tt0 -60.91 -50.63 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.118 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 76' ' ' SER . 22.2 mt -56.54 -40.53 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.46 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.47 55.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.154 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.75 -9.6 38.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.086 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' SER . . . . . 0.428 ' HA ' ' ND2' ' B' ' 133' ' ' ASN . 22.7 t -76.28 -72.8 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.513 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -147.91 -176.38 5.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.364 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -170.05 -174.49 1.78 Allowed 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.861 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.55 -76.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.859 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.66 17.18 10.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.111 -173.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.84 -149.85 24.42 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.675 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -154.96 156.49 36.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.21 -49.57 71.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.346 0.404 . . . . 0.0 110.853 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -61.75 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -57.35 -50.62 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.459 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 0.1 OUTLIER -76.03 -23.43 55.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.238 -173.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 86.1 m -66.58 -48.89 68.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.171 0.51 . . . . 0.0 109.719 174.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 t -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.112 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -65.06 -54.01 36.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' B' ' 101' ' ' MET . 68.5 mt -61.65 -41.01 88.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.04 80.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -36.78 84.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.586 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -70.8 -35.04 72.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.051 0.453 . . . . 0.0 111.098 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.8 mmt -66.14 -34.29 77.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.5 m -64.52 -43.72 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.655 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.2 p-10 -75.74 -26.51 57.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.664 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.63 93.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.008 178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.538 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 24.1 m-85 -67.04 -33.88 76.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.57 -19.09 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.224 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 71.0 mm-40 -86.46 -42.49 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.686 178.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -74.32 -73.39 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.837 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 30.0 p -87.03 -38.99 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.66 6.55 30.66 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.9 p -140.48 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.68 130.75 60.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.258 0.552 . . . . 0.0 111.167 -175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.544 ' OD1' ' HD2' ' B' ' 115' ' ' PRO . 56.8 t30 -87.81 113.2 23.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.742 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.433 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 27.5 mt-30 -61.47 -52.14 72.25 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.544 ' HD2' ' OD1' ' B' ' 113' ' ' ASN . 79.8 Cg_exo -47.66 -41.82 30.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 122.276 1.984 . . . . 0.0 112.625 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.595 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.3 t80 -60.54 -55.55 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.413 HG12 ' O ' ' B' ' 113' ' ' ASN . 42.6 mm -57.87 -39.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.994 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.75 -42.52 86.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.747 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 28.8 mm-40 -70.78 -26.02 63.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.595 HG12 ' O ' ' B' ' 116' ' ' PHE . 51.4 mm -61.83 -36.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 63.3 p -61.74 -34.56 76.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 0.0 110.837 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.56 -35.15 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.802 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.07 -55.41 34.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.377 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -39.2 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.522 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 16.5 t -67.99 -47.84 67.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.538 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -67.77 -35.53 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.01 -22.45 62.15 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.163 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.98 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.6 mp0 -79.25 -33.2 43.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.932 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.03 53.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.234 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.57 29.75 67.36 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.368 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.17 4.74 22.16 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 121.826 0.822 . . . . 0.0 110.792 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' B' ' 83' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.257 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 174.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.15 -33.14 91.38 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.279 1.986 . . . . 0.0 112.091 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -94.25 23.34 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.525 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -77.7 -16.48 58.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.358 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.72 147.18 22.08 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-O 120.537 0.208 . . . . 0.0 111.304 -176.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.39 -36.57 87.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.607 2.871 . . . . 0.0 113.628 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.13 -38.81 88.09 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.113 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -87.42 -29.52 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.697 -0.296 . . . . 0.0 110.732 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.47 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.16 -21.2 43.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -37.68 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.172 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -55.61 -43.91 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.5 mmt -64.46 -45.22 88.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -64.76 -45.37 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.239 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.587 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 16.2 p -74.04 -19.1 60.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' CE2' HD22 ' A' ' 27' ' ' LEU . 81.2 t80 -82.33 -57.85 3.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.8 mmm -63.52 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.343 -0.39 . . . . 0.0 112.038 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.587 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 25.9 pt20 -63.47 -28.46 69.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.388 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.55 -31.43 7.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.874 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CE1' ' A' ' 33' ' ' PHE . 40.5 tp -67.25 -30.11 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.196 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -69.84 -1.78 10.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 t -116.22 14.12 15.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 0.0 109.826 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.8 mmt -100.08 138.32 20.26 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.77 -12.5 22.03 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.121 2.547 . . . . 0.0 113.013 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.49 -12.34 80.22 Favored Glycine 0 C--N 1.316 -0.543 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.844 -175.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 27' ' ' LEU . 72.1 m-85 -122.02 164.83 17.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.181 0.515 . . . . 0.0 111.796 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 44.3 p -111.84 174.4 5.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.456 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.51 72.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.572 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -46.35 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.27 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.31 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.945 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.0 mt -64.19 -36.17 83.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.35 -51.09 70.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.069 0.461 . . . . 0.0 110.193 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 55.0 m-20 -60.8 -45.57 93.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.312 -176.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.518 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 6.5 ptm -79.7 -26.64 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.408 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -67.34 -32.72 73.87 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -64.77 -45.85 84.62 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.965 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 48' ' ' MET . 66.5 mt -64.56 -42.85 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.829 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.6 -54.27 12.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' HG21 ' A' ' 49' ' ' VAL . 15.6 mt-30 -73.78 -30.83 62.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.58 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.477 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 8.9 t -61.55 -41.36 97.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.572 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -63.6 -48.66 76.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 46' ' ' GLN . 8.2 m -65.68 -33.29 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -76.85 -29.59 55.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.575 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.48 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 22.9 t -71.19 -38.05 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.956 174.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 48' ' ' MET . 78.7 mt -61.18 -43.18 95.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.11 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.04 -35.26 78.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.6 m -65.23 -40.36 93.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.501 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.38 -38.26 84.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.92 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.67 91.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.67 -27.14 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.123 0.487 . . . . 0.0 111.237 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -88.53 -3.14 58.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 34.07 75.35 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.094 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -131.87 49.33 2.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.348 0.594 . . . . 0.0 111.411 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 122.75 41.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.553 173.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -137.37 150.86 70.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.38 -42.97 52.42 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.911 2.408 . . . . 0.0 112.596 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.58 -51.01 71.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -67.43 -35.33 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.61 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.58 -41.33 72.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.486 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.44 -45.66 93.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.56 -33.87 73.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.981 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.68 -29.54 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.77 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.78 -47.47 85.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.414 ' SD ' ' CE2' ' A' ' 116' ' ' PHE . 96.0 mmm -75.52 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.36 -44.0 64.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.87 0.367 . . . . 0.0 110.137 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.4 t80 -68.17 -49.23 62.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.496 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.72 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.012 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 m -77.81 -30.76 51.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.525 ' HB3' ' HB1' ' B' ' 72' ' ' ALA . 10.3 p -88.26 4.57 45.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.05 0.452 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -97.14 -15.73 20.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 169.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.05 -53.16 8.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.963 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -70.85 -31.69 68.47 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.603 -177.262 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mt -57.19 -44.16 83.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.324 0.583 . . . . 0.0 109.509 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -69.27 -54.3 15.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.622 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.55 -49.45 64.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.676 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -57.72 -66.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.06 153.55 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.221 -168.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.26 -174.24 2.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.191 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.89 -133.75 4.06 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.042 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 1.9 71.42 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.49 115.88 3.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.08 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.9 t -69.98 172.4 7.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.23 -41.34 96.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -69.12 -36.75 77.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.301 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -66.32 -48.0 71.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.359 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.93 -33.96 76.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.143 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.7 m -67.59 -48.81 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.397 . . . . 0.0 111.038 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.8 p -68.93 -30.43 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.822 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -54.52 -53.39 55.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.792 177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.1 mt -65.87 -42.94 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.78 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.55 80.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.99 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.6 t -67.14 -35.62 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 0.0 110.715 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -78.24 -28.84 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.5 mmt -70.13 -35.78 74.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.293 0.568 . . . . 0.0 109.773 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.6 t -65.42 -39.9 92.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.165 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.1 p-10 -76.65 -23.33 53.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.92 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.72 90.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.915 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 45.4 m-85 -72.56 -29.99 64.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.731 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.66 -13.93 61.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.33 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 72.0 mm-40 -94.0 -40.73 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.687 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -74.3 -54.73 7.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.318 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 t -115.39 -27.28 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.498 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.62 31.55 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.503 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.6 p -153.27 151.88 10.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 p -125.82 132.42 70.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 0.0 111.003 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.38 120.01 20.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.311 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.406 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 25.1 mp0 -56.0 -50.41 87.46 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.161 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.2 Cg_exo -44.74 -47.89 11.1 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.345 2.03 . . . . 0.0 112.87 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 120' ' ' ILE . 64.7 t80 -54.67 -50.18 68.83 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.518 0.512 . . . . 0.0 111.261 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.07 -33.76 65.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.244 0.545 . . . . 0.0 110.26 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -73.79 -22.51 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 39.8 mt-10 -76.43 -47.43 23.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.313 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 116' ' ' PHE . 33.1 mm -60.19 -39.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.296 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -61.98 -27.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.096 0.474 . . . . 0.0 111.518 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -83.3 -29.55 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.66 -46.19 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.18 -38.19 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.052 0.453 . . . . 0.0 110.978 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -78.47 -41.34 32.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.877 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -63.29 -43.31 98.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.707 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.82 -30.22 71.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.622 0.249 . . . . 0.0 111.243 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.77 -39.75 91.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.171 0.51 . . . . 0.0 111.081 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.98 -24.38 28.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.924 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -57.03 14.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.08 33.11 27.29 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.029 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -76.68 1.14 17.87 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.261 1.029 . . . . 0.0 110.335 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 113.507 -1.679 . . . . 0.0 109.485 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.4 -19.9 61.4 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -109.69 26.46 10.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.213 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -76.38 -15.86 59.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.264 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -150.21 152.38 33.41 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.597 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 12.1 Cg_endo -56.18 -36.6 96.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.821 2.347 . . . . 0.0 112.889 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.44 8.55 9.5 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.418 0.449 . . . . 0.0 113.855 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -125.03 -30.59 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.31 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.543 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -80.65 -33.3 35.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.696 179.291 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.57 -37.84 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.911 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -53.51 -43.01 67.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 mmt -61.45 -46.33 90.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 109.838 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -64.96 -44.13 90.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.507 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.6 p -67.69 -15.14 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.797 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.444 ' CE2' HD21 ' B' ' 27' ' ' LEU . 77.8 t80 -90.19 -51.31 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 110.644 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 94.3 mmm -66.47 -22.03 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.146 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -63.29 -34.53 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.66 -33.33 6.79 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.306 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' B' ' 33' ' ' PHE . 40.0 tp -65.62 -25.81 67.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.224 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -63.93 -17.18 62.98 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.5 m -122.08 32.77 5.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.959 0.409 . . . . 0.0 110.805 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.4 mmt -98.97 137.47 20.5 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.485 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.83 -26.9 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.009 2.473 . . . . 0.0 113.595 -174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.31 82.6 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.991 -0.624 . . . . 0.0 114.191 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' B' ' 27' ' ' LEU . 24.4 m-85 -116.37 170.12 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.496 0.648 . . . . 0.0 112.446 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 55.4 p -118.96 178.65 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.234 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.89 -11.49 58.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.288 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -90.77 -42.51 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.545 ' NE2' ' HB2' ' B' ' 84' ' ' GLU . 0.5 OUTLIER -57.02 -46.98 81.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.785 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.21 -44.38 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.904 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.39 -45.73 82.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.346 . . . . 0.0 110.94 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' B' ' 43' ' ' THR . 0.9 OUTLIER -67.01 -42.04 85.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.343 -177.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.51 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 11.7 ptm -77.2 -30.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.035 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.0 t -64.39 -30.11 71.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.399 0.619 . . . . 0.0 109.401 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 69.0 m -62.42 -42.54 99.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.217 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' B' ' 48' ' ' MET . 51.5 mt -73.59 -35.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.64 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.182 0.515 . . . . 0.0 110.467 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.538 ' O ' HG23 ' B' ' 49' ' ' VAL . 22.4 mt-30 -67.01 -35.1 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.48 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 49.9 m -59.54 -37.58 78.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 0.0 110.281 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 77.7 mmm -69.08 -44.72 71.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 46' ' ' GLN . 8.6 m -69.86 -34.48 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.812 0.339 . . . . 0.0 111.217 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.36 -38.54 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.619 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.477 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 70.3 m -61.21 -46.24 91.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.839 175.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.72 -41.24 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -64.65 -40.71 95.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.294 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -63.11 -37.66 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.445 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.834 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.96 86.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.655 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.29 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.008 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -86.04 -16.01 39.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.33 36.16 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.249 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -116.19 19.16 15.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.5 p -74.83 120.01 19.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.042 0.448 . . . . 0.0 111.14 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -136.83 147.09 57.85 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.779 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.14 -37.45 79.74 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.061 2.507 . . . . 0.0 112.781 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.12 -50.2 74.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 49.5 mttm -64.68 -41.94 95.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.485 -177.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.97 -42.86 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.25 -48.88 77.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.915 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.47 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.079 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.31 -33.79 76.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.768 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' B' ' 70' ' ' ASN . 9.4 m120 -60.89 -42.41 97.92 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.104 175.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -73.34 -41.19 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.561 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 76' ' ' SER . . . -53.41 -40.91 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 0.0 110.255 175.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.592 ' O ' ' HG2' ' B' ' 77' ' ' MET . 76.9 t80 -67.41 -53.92 24.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.22 -35.44 71.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.945 -177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 -39.62 41.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.045 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.587 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 22.7 p -70.95 -31.49 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -67.62 -25.44 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 109.957 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -51.25 20.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.681 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.587 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -62.12 -41.51 98.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.161 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 76' ' ' SER . 16.4 mt -60.13 -45.43 95.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.54 87.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 110.441 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.53 71.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.921 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -64.38 -78.37 0.05 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.545 ' HB2' ' NE2' ' B' ' 37' ' ' GLN . 2.9 mp0 -76.97 170.61 16.2 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.375 0.607 . . . . 0.0 111.63 -175.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.69 -167.16 2.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.667 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.01 -66.34 0.53 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.988 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -106.19 -0.76 38.36 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.755 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.41 119.27 1.75 Allowed Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.333 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -73.59 178.53 4.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.31 -39.38 82.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.538 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -75.94 -31.02 58.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.087 0.47 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -70.26 -51.23 32.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.3 -33.42 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 84.6 m -68.06 -45.52 73.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.241 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.1 p -71.81 -31.2 66.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.385 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -58.61 -44.68 90.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.76 177.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.89 -48.18 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.598 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.85 84.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.4 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -60.62 -44.0 96.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.673 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.8 75.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.18 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.48 -42.44 99.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -59.12 -33.4 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.5 t30 -76.26 -42.46 45.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.18 -42.24 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.756 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.637 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.3 m-85 -65.68 -31.56 72.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 0.0 111.394 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.89 -22.76 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.756 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 31.5 mm-40 -78.64 -39.32 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.37 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -85.0 -69.16 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.505 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.9 t -97.81 -31.9 11.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.703 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.46 24.72 9.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.564 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -158.28 149.85 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.04 128.58 57.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 0.0 111.652 -174.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.38 101.26 4.03 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -53.59 -52.91 62.74 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 10.1 Cg_endo -53.46 -43.09 60.48 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.257 1.972 . . . . 0.0 112.402 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.458 ' O ' HG12 ' B' ' 120' ' ' ILE . 46.1 t80 -53.87 -45.91 71.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.28 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -66.84 -31.14 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.582 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.7 -10.77 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 115' ' ' PRO . 40.6 mt-10 -85.59 -42.26 14.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 116' ' ' PHE . 16.8 mm -62.81 -30.67 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.181 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 28.0 p -66.22 -20.95 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.489 . . . . 0.0 111.498 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -90.88 -28.15 18.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.579 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.2 mt -69.5 -50.94 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.096 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.92 -39.1 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.4 p -74.3 -46.13 43.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.708 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.5 ptm -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.525 -175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.61 -31.51 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.78 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.54 . . . . 0.0 110.687 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -74.21 -39.07 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.743 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.65 68.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.909 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.83 39.68 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.405 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -71.61 0.37 8.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.633 0.73 . . . . 0.0 110.93 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.256 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 11' ' ' THR . 2.2 p . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.98 2.38 3.71 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.542 2.161 . . . . 0.0 112.731 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -138.84 18.4 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.72 0.295 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' ' 12' ' ' ASN . 10.1 t -67.39 -28.06 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.185 0.517 . . . . 0.0 110.95 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.555 ' OD1' HG22 ' A' ' 11' ' ' THR . 1.6 p-10 -159.96 153.16 18.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.0 Cg_endo -51.05 -35.42 50.82 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.181 2.587 . . . . 0.0 112.706 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -12.73 31.87 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.807 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -115.81 -26.16 7.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.297 0.549 . . . . 0.0 110.879 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.05 97.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 14.1 pt-20 -78.42 -7.97 57.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.9 OUTLIER -83.37 -27.58 29.56 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.279 -0.263 . . . . 0.0 110.861 -178.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.32 -52.21 66.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.918 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -74.44 -30.17 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.482 0.182 . . . . 0.0 111.275 -176.339 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -65.08 -45.94 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.527 . . . . 0.0 109.896 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.426 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 49.1 m -66.9 -22.3 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.431 ' CE2' HD23 ' A' ' 27' ' ' LEU . 87.7 t80 -78.93 -56.88 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.794 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.99 -29.86 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.056 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 23.9 pt20 -67.99 -17.45 64.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 111.216 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.84 -24.18 6.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.542 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD23 ' CE2' ' A' ' 23' ' ' PHE . 33.8 tp -71.91 -22.79 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.536 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -63.92 -18.81 64.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -107.48 16.8 23.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmt -102.99 150.28 37.66 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.52 171.97 17.09 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.533 2.156 . . . . 0.0 110.914 172.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 90.57 -47.64 3.04 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.47 -0.872 . . . . 0.0 112.403 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -102.97 122.5 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.938 0.399 . . . . 0.0 110.587 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.403 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 46.8 p -86.7 166.09 15.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.25 40.13 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.317 0.386 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -65.67 -46.37 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.317 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' NE2' ' HB3' ' A' ' 84' ' ' GLU . 11.1 mm100 -71.82 -25.14 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -169.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -69.43 -21.57 63.73 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.508 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.51 -41.71 94.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 109.77 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 39.3 m-20 -66.48 -42.51 87.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.619 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.434 ' HE1' ' SD ' ' A' ' 77' ' ' MET . 12.4 mtp -76.37 -38.8 55.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.678 -175.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -63.57 -26.74 68.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.4 m -62.66 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.331 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.1 mt -72.86 -36.08 51.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.422 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.32 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.743 176.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -70.26 -37.98 75.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.886 177.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -56.38 -43.36 79.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 88.4 mmm -68.29 -45.5 72.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.297 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 33.2 m -65.52 -39.38 84.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.756 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.25 -45.27 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.483 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.504 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.2 m -56.97 -46.67 82.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.047 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 99.0 mt -63.58 -46.73 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.786 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.1 pt20 -70.23 -27.49 64.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 0.0 110.064 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 51' ' ' SER . 46.8 mt -63.42 -36.18 82.88 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.092 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -34.97 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.507 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.87 -42.1 64.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.74 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.57 -20.82 62.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.268 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.16 49.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.011 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 14.4 mtp180 -111.92 31.59 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.507 -175.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -82.99 128.51 34.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.369 0.604 . . . . 0.0 111.979 -176.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -151.6 146.13 18.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.72 -49.75 14.79 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.735 2.29 . . . . 0.0 112.484 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -71.02 -27.91 64.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 18.4 ttmm -73.42 -35.92 65.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.35 -34.05 75.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.535 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.3 -34.94 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.69 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -4.1 28.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.167 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 mt -112.98 5.23 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.09 -53.31 4.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.59 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.443 ' SD ' ' HE2' ' B' ' 132' ' ' MET . 33.3 mtp -79.99 -22.99 41.87 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.8 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -33.52 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.497 172.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 77' ' ' MET . 81.0 t80 -76.99 -42.57 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 0.0 110.114 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.51 -32.1 72.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.639 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -81.67 -40.65 22.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.519 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.7 p -63.73 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.074 0.464 . . . . 0.0 110.803 178.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.513 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 29.1 mmt -65.64 -31.49 72.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.87 -39.92 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.474 ' OE1' ' HA ' ' A' ' 76' ' ' SER . 10.5 pt-20 -71.72 -22.91 61.56 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.859 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 76' ' ' SER . 5.1 mt -75.22 -48.18 32.67 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.46 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.146 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.98 98.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.394 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 m -78.81 -46.42 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.879 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 31.3 mm-40 -96.5 138.28 34.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.724 0.773 . . . . 0.0 112.351 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -95.15 -155.9 0.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.675 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.69 -94.17 0.14 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.341 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.2 25.38 6.71 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.688 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -173.89 155.14 21.27 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.95 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.3 t -83.64 -167.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.76 -40.76 80.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.9 m -68.49 -32.74 72.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 m -77.9 -48.88 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.872 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HZ3' ' HB3' ' A' ' 93' ' ' LYS . 1.4 ptpm? -61.17 -35.71 77.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -69.98 -48.09 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m -65.79 -33.1 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -59.58 -55.18 37.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.491 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.3 -40.36 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.39 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.89 -176.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.9 t -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.07 73.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.989 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.06 -47.2 75.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.6 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 18.4 m -57.67 -36.2 71.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.309 0.576 . . . . 0.0 110.276 176.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.8 t30 -64.05 -38.46 91.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.966 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.05 95.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.473 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 71.7 m-85 -66.28 -32.67 74.22 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.283 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.9 mt -71.9 -17.49 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 62.6 mm-40 -91.54 -36.28 13.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.723 0.297 . . . . 0.0 110.71 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -71.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.447 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.3 p -87.95 -54.84 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.974 0.416 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.82 -5.77 9.05 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.5 p -131.49 148.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.58 132.52 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.403 -175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.41 99.76 6.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.491 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 36.1 tt0 -57.71 -49.49 93.48 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 51.3 Cg_exo -55.46 -38.17 94.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.79 1.66 . . . . 0.0 111.916 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.609 ' O ' HG12 ' A' ' 120' ' ' ILE . 28.5 t80 -60.55 -52.04 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.76 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.277 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.257 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.11 -30.04 66.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.609 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.3 mm -60.22 -37.19 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.195 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.1 p -63.84 -33.05 74.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.616 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -70.49 -34.6 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.821 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 99.3 mt -60.8 -51.32 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.73 -35.39 70.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.175 0.512 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.2 t -66.27 -54.59 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.69 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -60.79 -39.82 90.29 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -65.92 -22.45 66.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.476 0.179 . . . . 0.0 111.313 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.748 0.308 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -88.91 -24.54 22.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.781 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.98 84.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.599 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.88 76.84 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.758 -0.656 . . . . 0.0 113.282 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -80.05 6.56 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.883 0.849 . . . . 0.0 110.638 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.126 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.602 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.466 ' H ' ' HB ' ' B' ' 11' ' ' THR . 2.9 p . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.46 -15.14 28.62 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.363 2.042 . . . . 0.0 112.708 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -126.92 23.79 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.466 ' HB ' ' H ' ' B' ' 8' ' ' THR . 8.8 t -66.16 -27.59 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.786 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . 0.446 ' ND2' HG22 ' B' ' 11' ' ' THR . 12.2 p30 -152.58 155.4 32.65 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 50.5 Cg_exo -56.5 -28.33 73.21 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.98 2.453 . . . . 0.0 112.549 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.6 -11.37 56.86 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.074 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -111.85 -39.81 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.854 0.359 . . . . 0.0 110.059 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.35 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.717 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 16.7 pt-20 -70.14 -26.31 63.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.517 . . . . 0.0 110.876 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -87.13 -7.64 57.8 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.132 -0.355 . . . . 0.0 111.217 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -65.97 -53.84 33.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -27.02 63.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.974 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 29.7 m-80 -64.32 -53.63 45.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 175.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -60.24 -33.56 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.672 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.567 ' CE2' HD22 ' B' ' 27' ' ' LEU . 80.4 t80 -65.54 -53.52 40.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.064 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.1 mmm -60.58 -37.81 82.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.718 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.4 mt-30 -57.26 -47.26 81.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.47 . . . . 0.0 110.472 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -76.25 -33.18 49.88 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.451 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.567 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.0 tp -71.87 -31.9 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.812 0.339 . . . . 0.0 111.278 -177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -67.96 -8.77 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 p -113.54 21.45 15.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.458 . . . . 0.0 110.406 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 23.9 mmt -109.11 147.32 35.69 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.0 151.31 30.68 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.095 1.863 . . . . 0.0 110.95 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . 0.485 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 117.91 -39.76 2.52 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.556 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -102.11 126.25 49.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.334 0.588 . . . . 0.0 111.298 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -90.68 178.14 6.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.411 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.53 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.196 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.4 m -64.69 -48.74 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' B' ' 41' ' ' MET . 15.8 mm100 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.06 -33.81 76.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.97 -47.9 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.6 -45.12 84.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.434 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.1 ptp -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -64.24 -29.53 70.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.131 0.491 . . . . 0.0 109.739 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 m -68.27 -52.37 34.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.381 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.23 -40.09 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.178 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -43.98 71.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 110.975 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.417 ' O ' HG21 ' B' ' 49' ' ' VAL . 0.0 OUTLIER -73.99 -35.78 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.2 t -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.825 0.345 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.24 -42.01 93.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.38 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 16.2 m -68.4 -35.66 71.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.641 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.35 -46.14 91.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.453 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 54.5 m -57.83 -49.54 76.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.314 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.84 -47.94 87.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.744 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.7 pt20 -69.51 -31.18 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.206 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -67.0 -34.07 76.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 51' ' ' SER . 62.6 mt -69.7 -28.29 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.62 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.16 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 110.993 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -83.59 -3.78 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.155 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.98 84.35 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.546 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -111.84 15.91 20.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.643 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -80.31 121.01 25.12 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.429 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 34.9 m -143.85 158.49 56.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.627 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 12.2 Cg_endo -51.81 -43.23 52.88 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.47 2.78 . . . . 0.0 112.577 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -83.1 -36.94 24.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.628 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 20.3 mtmm -69.05 -35.32 76.45 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.85 -35.37 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.453 . . . . 0.0 110.141 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.09 -38.68 87.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.305 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.73 8.44 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.87 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 mt -121.71 4.78 10.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.361 0.6 . . . . 0.0 109.386 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.56 -50.43 7.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.659 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtp -85.43 -24.9 27.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.41 -29.86 50.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.422 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.569 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -80.46 -39.71 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -32.93 74.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.318 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.5 p -75.45 -42.91 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.573 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.7 p -64.58 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.8 mmt -68.25 -33.71 74.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.916 0.389 . . . . 0.0 110.249 175.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -43.56 68.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.061 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' B' ' 76' ' ' SER . 11.0 pt-20 -67.37 -30.68 70.54 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.19 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 76' ' ' SER . 24.0 mt -70.65 -49.76 49.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 174.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.478 ' O ' ' HD3' ' B' ' 93' ' ' LYS . . . -63.19 -55.42 25.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.985 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.5 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.977 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 43.1 m -67.08 -55.56 13.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.74 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.41 161.18 15.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.733 0.301 . . . . 0.0 111.436 -173.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.3 -168.45 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.34 -37.71 0.64 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.907 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.43 19.27 9.24 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.485 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.01 141.3 5.52 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -90.09 -172.53 3.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.18 -35.54 67.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.96 0.41 . . . . 0.0 111.109 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -72.71 -48.68 36.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.116 0.484 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -48.28 82.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.205 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' B' ' 81' ' ' ALA . 18.8 ptpt -63.97 -25.24 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.249 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 95.6 m -78.04 -53.98 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 48.7 m -65.82 -31.24 72.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.455 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -57.47 -50.25 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.47 -49.21 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.32 77.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.788 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -65.99 -43.6 87.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.87 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.606 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.5 mmt -60.61 -47.91 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -59.7 -34.2 72.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.038 0.447 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.5 t30 -65.13 -43.88 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.814 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.58 80.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.501 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.612 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 34.9 m-85 -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.259 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.43 -24.24 60.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 67.3 mm-40 -80.61 -32.8 36.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -86.66 -74.36 0.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.084 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 35.3 p -89.87 -45.45 9.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.1 0.476 . . . . 0.0 111.246 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.19 14.53 13.11 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.612 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -144.39 147.65 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.5 127.22 60.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.074 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.2 102.24 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.451 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 35.7 tt0 -54.45 -54.54 47.37 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.462 -176.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 12.2 Cg_endo -55.85 -37.37 95.9 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.015 1.81 . . . . 0.0 112.121 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.591 ' O ' HG12 ' B' ' 120' ' ' ILE . 41.8 t80 -58.59 -51.94 67.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.519 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.41 -38.61 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -68.32 -45.71 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.447 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 53.9 mm-40 -61.22 -28.5 69.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.304 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.591 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.3 mm -60.9 -40.8 86.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.34 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.3 p -61.47 -37.38 83.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.345 0.593 . . . . 0.0 110.606 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.6 -38.76 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.525 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.19 -53.17 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.71 -38.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 0.0 110.573 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 31.6 t -67.31 -45.2 77.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.49 -40.44 77.04 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -67.01 -20.5 65.88 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.94 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.7 mp0 -84.58 -23.44 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.299 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -48.4 77.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.91 28.42 73.64 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.342 173.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' MET . . . . . 0.443 ' HE2' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -79.52 10.26 4.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.439 -178.282 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.617 178.417 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.71 -10.49 28.93 Favored 'Trans proline' 0 C--O 1.222 -0.317 0 C-N-CA 122.24 1.96 . . . . 0.0 112.058 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.2 p90 -124.33 17.65 9.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' THR . 8.8 t -73.58 -16.26 61.25 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.787 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -156.99 152.33 21.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.09 -34.38 77.73 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.003 2.469 . . . . 0.0 112.692 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.12 -50.18 70.5 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.879 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.26 -34.04 72.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.65 -0.324 . . . . 0.0 110.879 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.97 83.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.992 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.52 -27.04 63.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.759 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -71.24 -22.4 61.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.04 -44.64 97.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.125 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -61.98 -45.97 91.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -59.37 -49.84 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.26 -26.94 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.046 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -77.25 -51.48 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.02 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.295 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.94 -22.4 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 0.0 110.47 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.93 -38.49 4.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.926 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.98 -31.28 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.278 . . . . 0.0 111.159 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 t -63.45 -16.65 61.22 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.244 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -99.95 9.95 42.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.043 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -93.38 147.71 34.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.097 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.71 -28.29 6.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.819 2.346 . . . . 0.0 113.206 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.37 -5.8 68.2 Favored Glycine 0 C--N 1.328 0.116 0 CA-C-N 116.088 -0.505 . . . . 0.0 114.189 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -124.69 153.27 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.207 0.527 . . . . 0.0 111.612 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 41.3 p -112.76 158.95 19.47 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.1 -178.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.51 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.564 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 p -65.62 -60.22 3.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.8 mm-40 -67.54 -26.04 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.739 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 34' ' ' THR . 64.3 mt -61.78 -34.05 75.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.927 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.63 -36.22 70.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.714 0.292 . . . . 0.0 110.587 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.94 -48.74 80.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.278 0.561 . . . . 0.0 110.24 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 8.3 ptp -74.08 -32.66 63.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.63 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m -60.6 -35.3 75.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.029 0.443 . . . . 0.0 109.837 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -59.72 -41.08 90.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.763 176.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 80' ' ' ILE . 47.7 mt -75.57 -37.49 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.647 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.06 72.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.546 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.754 177.635 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 t -59.98 -40.21 88.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.476 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 90.7 mmm -68.53 -44.62 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -177.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.03 -37.25 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.047 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.91 -37.77 88.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.7 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.58 -39.74 95.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 69.9 mt -66.38 -47.1 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.275 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.77 -46.33 89.49 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.769 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 p -65.21 -43.83 90.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.4 -32.32 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.015 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -38.58 77.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.95 86.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.392 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -75.17 -13.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.045 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.24 62.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.108 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -105.56 4.78 30.75 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.164 0.507 . . . . 0.0 110.598 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -85.69 124.31 32.07 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.895 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 65' ' ' LYS . 7.1 m -114.64 157.86 41.78 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.99 -35.18 59.89 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.468 2.112 . . . . 0.0 112.302 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -84.3 -26.74 28.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.776 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -76.41 -29.81 57.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.896 0.379 . . . . 0.0 110.271 -177.431 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.85 -31.48 69.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 0.0 110.253 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.506 HE22 ' HA ' ' B' ' 133' ' ' ASN . 8.1 tt0 -69.44 -42.54 74.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.385 172.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -73.79 71.22 1.47 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.944 0.878 . . . . 0.0 110.23 176.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 6.5 mt 175.62 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.621 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.18 -44.01 96.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -32.21 60.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.857 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.345 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' N ' ' HE2' ' A' ' 48' ' ' MET . 57.9 t80 -63.47 -49.55 73.19 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 120' ' ' ILE . . . -58.87 -39.62 81.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.635 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -76.43 -32.46 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.562 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 t -67.7 -32.3 72.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.374 0.607 . . . . 0.0 110.163 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.512 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 12.0 mmt -75.32 -22.58 57.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.05 21.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.562 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 16.4 pt-20 -61.43 -37.16 82.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.472 0.177 . . . . 0.0 110.727 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 44' ' ' ILE . 16.1 mt -65.2 -55.27 21.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.876 0.369 . . . . 0.0 110.451 176.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.22 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.03 92.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.957 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 m -81.21 -45.09 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.803 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -127.12 150.93 49.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 111.739 -176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.41 176.44 10.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.143 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.8 -8.17 3.16 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.446 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.28 40.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.06 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.58 123.97 1.91 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.006 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -66.52 169.78 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.69 -42.94 84.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -68.96 -37.88 79.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 m -66.04 -47.86 72.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.054 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.57 -38.25 83.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.072 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 m -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.618 0.247 . . . . 0.0 110.877 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.1 t -60.95 -33.0 72.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m -66.7 -49.05 67.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.905 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.4 mt -66.96 -46.24 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.186 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.09 86.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.725 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t -69.22 -32.02 71.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.793 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -75.08 -23.52 58.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 111.043 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mmt -72.67 -45.21 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -68.28 -33.75 74.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.8 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.573 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -76.28 -20.73 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.37 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.21 -38.22 72.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.12 -33.93 74.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.121 0.486 . . . . 0.0 110.902 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.16 -16.77 63.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.352 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 60.4 mm-40 -95.46 -28.88 14.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.611 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -89.05 -63.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.536 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.9 p -95.18 -43.49 8.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.971 0.415 . . . . 0.0 111.123 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.24 7.18 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.28 148.69 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.133 -0.533 . . . . 0.0 109.929 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.3 t -97.61 147.21 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 16.9 m120 -69.3 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.533 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 6.9 tp60 175.66 -59.08 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 O-C-N 123.439 0.462 . . . . 0.0 111.539 174.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 5.3 Cg_exo -73.87 -26.05 13.71 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.895 1.73 . . . . 0.0 112.61 -171.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.53 ' O ' HG12 ' A' ' 120' ' ' ILE . 39.5 t80 -53.71 -48.49 69.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 -177.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.19 -36.02 75.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -73.02 -29.33 62.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.129 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.576 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 37.5 mm-40 -69.69 -35.42 75.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.959 0.409 . . . . 0.0 111.128 177.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.3 mm -65.77 -39.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.598 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.5 p -64.08 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.403 0.62 . . . . 0.0 110.597 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.576 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 14.9 mt-30 -66.39 -42.51 87.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.707 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.353 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.89 -40.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.786 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 m -69.88 -45.72 67.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.07 -43.79 86.39 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -65.35 -28.22 69.13 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.133 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.03 78.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.783 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.07 -35.43 28.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.43 -49.53 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.003 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 60.33 36.66 91.53 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.011 174.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -81.85 27.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.507 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.316 -0.876 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.25 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.467 ' O ' HG23 ' B' ' 11' ' ' THR . 1.4 p . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.59 -18.14 63.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.281 1.988 . . . . 0.0 112.585 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -117.1 21.58 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.467 HG23 ' O ' ' B' ' 8' ' ' THR . 10.6 t -74.05 -29.14 61.75 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.41 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -143.89 152.56 55.73 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.998 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -53.8 -31.61 62.62 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.011 2.474 . . . . 0.0 112.786 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.11 55.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.272 -0.49 . . . . 0.0 112.67 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.16 -32.29 64.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.711 -0.287 . . . . 0.0 110.688 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.57 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.74 -24.38 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.98 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.66 -27.17 66.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.828 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -63.03 -43.47 98.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.055 0.455 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -65.18 -44.51 88.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.894 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.7 m -68.01 -18.22 64.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 111.139 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.513 ' CE2' HD21 ' B' ' 27' ' ' LEU . 72.6 t80 -84.28 -55.64 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.416 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.57 -32.0 73.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.668 -176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -64.4 -27.01 68.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 110.837 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.22 -32.52 6.68 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.647 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' B' ' 23' ' ' PHE . 28.4 tp -68.23 -29.19 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.367 . . . . 0.0 111.037 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -69.99 -5.96 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -115.65 9.34 15.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.085 0.469 . . . . 0.0 110.481 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.99 141.68 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.0 -14.4 16.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.84 2.36 . . . . 0.0 112.416 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.15 -19.4 63.82 Favored Glycine 0 C--N 1.32 -0.308 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.795 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -126.64 171.22 11.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 111.841 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.443 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 23.9 p -114.77 163.48 15.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.318 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.32 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.551 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.4 p -65.98 -48.45 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' B' ' 41' ' ' MET . 28.5 mm-40 -63.87 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.223 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 34' ' ' THR . 89.5 mt -60.98 -35.98 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.68 -39.72 94.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.82 -38.45 58.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.877 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.2 ptp -74.71 -32.96 62.3 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.445 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -58.8 -40.19 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.202 0.525 . . . . 0.0 109.705 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -60.54 -35.12 75.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.6 mt -75.04 -43.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.477 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.96 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.798 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.466 ' HA ' HE21 ' B' ' 46' ' ' GLN . 0.0 OUTLIER -72.32 -36.66 68.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 178.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 -33.68 75.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.518 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.45 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.6 mmm -73.19 -31.25 64.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.535 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 46' ' ' GLN . 22.8 m -83.0 -36.68 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.812 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.0 -40.34 96.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.233 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.5 p -64.29 -45.65 87.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -57.89 -45.61 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.558 0.218 . . . . 0.0 110.677 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.39 -42.93 96.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.734 0.302 . . . . 0.0 111.379 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' B' ' 58' ' ' GLN . 47.1 m -63.58 -42.14 98.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 0.0 110.629 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.34 -34.43 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.52 92.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 54' ' ' SER . 25.7 mt-30 -82.1 -7.75 59.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 23.7 77.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.257 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -102.77 13.32 34.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.519 0.676 . . . . 0.0 109.851 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -91.67 134.95 34.25 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.945 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.498 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 12.8 m -144.25 162.89 37.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 11.5 Cg_endo -51.05 -47.69 24.53 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.78 2.32 . . . . 0.0 112.083 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.09 -20.98 37.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.371 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 0.0 OUTLIER -76.6 -37.03 57.12 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 35.6 tt0 -58.8 -45.59 89.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.635 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.575 ' O ' ' HG ' ' B' ' 69' ' ' LEU . . . -75.3 70.42 2.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 68' ' ' ALA . 9.9 mt 176.22 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.748 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -43.08 97.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.484 177.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mmm -78.9 -32.96 45.97 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.879 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.34 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.222 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.45 ' N ' ' HE2' ' B' ' 48' ' ' MET . 49.1 t80 -65.02 -53.64 42.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.933 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.2 -36.91 73.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.473 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -77.67 -32.04 52.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 5.7 t -70.43 -33.06 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.478 0.656 . . . . 0.0 110.073 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 17.0 mmt -73.9 -25.44 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.098 0.475 . . . . 0.0 109.819 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.02 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.85 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.2 pt-20 -65.14 -33.03 75.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.59 0.233 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.72 -48.58 45.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.156 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.53 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.554 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.81 -11.78 56.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.4 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -88.64 -69.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.039 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -112.52 170.87 7.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.415 0.626 . . . . 0.0 112.368 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.519 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 10.1 pt-20 -163.25 -160.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.272 176.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.73 -64.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.5 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.71 -20.32 60.04 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -132.27 156.89 22.24 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 114.628 -0.786 . . . . 0.0 111.622 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -91.1 -176.63 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 0.8 OUTLIER -56.37 -45.81 80.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.072 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -66.98 -38.89 86.88 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.229 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -64.44 -50.3 68.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.37 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.519 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 17.4 ptpt -62.48 -35.5 79.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.775 -177.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 38.1 m -64.28 -47.45 79.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 46.2 t -62.14 -38.2 88.06 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 60.9 m -60.57 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.91 -45.25 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.583 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.6 79.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.555 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -65.35 -39.59 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.87 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.119 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -62.16 -42.58 99.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.296 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -61.38 -36.68 80.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.562 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.3 t30 -72.54 -40.58 66.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.912 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.07 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.781 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.583 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 51.3 m-85 -66.96 -33.82 76.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.78 -23.29 60.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 28.3 mm-40 -77.91 -48.54 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.161 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -72.84 -73.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.346 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -92.65 -40.08 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.373 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.87 12.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.878 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.2 p -149.35 151.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.73 134.12 43.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 3.5 m-20 -61.76 -36.98 82.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.429 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 35.8 tt0 97.35 -73.39 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.106 1.363 . . . . 0.0 113.088 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 31.5 Cg_exo -59.9 -29.41 89.39 Favored 'Trans proline' 0 C--N 1.367 1.537 0 CA-C-N 121.986 1.745 . . . . 0.0 112.33 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 120' ' ' ILE . 44.5 t80 -52.79 -46.97 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.937 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.54 -38.62 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -74.01 -20.53 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.449 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -79.48 -31.9 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.872 0.367 . . . . 0.0 110.275 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.59 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -66.54 -38.95 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 46.5 p -63.01 -26.49 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.334 0.588 . . . . 0.0 110.732 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -78.41 -41.49 32.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.248 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.5 mt -56.68 -47.81 79.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.403 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.25 -30.69 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.073 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -84.56 -35.88 22.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.558 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.556 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 25.5 ptm -65.28 -52.5 53.86 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.214 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.43 -20.29 66.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.9 -20.31 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 20.8 mt-30 -89.06 -34.63 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.418 . . . . 0.0 109.929 177.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -60.0 4.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.942 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 55.4 57.95 16.16 Favored Glycine 0 C--N 1.333 0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.862 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 17.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.401 0.619 . . . . 0.0 110.832 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.506 ' HA ' HE22 ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.347 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.442 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 36.5 Cg_exo -62.39 -15.19 43.55 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.307 2.004 . . . . 0.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -122.3 20.43 10.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.573 -175.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.442 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 12.5 t -75.88 -17.37 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.628 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -151.96 154.88 33.22 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -80.48 18.29 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.332 2.688 . . . . 0.0 113.077 -174.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.19 -0.31 10.52 Favored Glycine 0 CA--C 1.503 -0.681 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -124.57 -31.94 3.18 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.648 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -59.93 -33.24 71.62 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.93 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.13 -18.86 62.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.232 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.42 -22.11 52.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.55 -57.31 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 111.121 -176.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -68.43 -49.19 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.476 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 42.7 m -64.37 -19.38 65.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.626 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 38.4 t80 -76.28 -63.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.243 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.562 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 10.4 ptm -80.26 -15.02 57.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -168.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 13.8 pt20 -60.42 -33.29 72.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.0 110.086 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.97 -18.48 43.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.522 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.698 HD23 ' SD ' ' A' ' 41' ' ' MET . 31.9 tp -73.09 -28.12 62.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.937 0.398 . . . . 0.0 110.657 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -71.66 5.34 2.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.784 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 27' ' ' LEU . 48.4 t -120.07 7.11 10.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.036 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -93.77 139.51 22.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.913 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.69 -18.85 32.35 Favored 'Trans proline' 0 N--CA 1.472 0.26 0 C-N-CA 123.014 2.476 . . . . 0.0 113.03 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.19 96.8 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.671 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.66 163.38 12.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 0.0 111.456 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.469 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 71.5 p -110.58 166.15 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.975 176.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.26 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 111.519 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -70.66 -33.56 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 10.8 mm100 -89.3 6.43 40.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.531 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 34' ' ' THR . 4.6 mm? -105.44 5.44 31.63 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.917 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.57 -43.36 10.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.112 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.631 ' HA ' ' CD ' ' B' ' 65' ' ' LYS . 0.8 OUTLIER -67.7 -50.19 58.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.698 ' SD ' HD23 ' A' ' 27' ' ' LEU . 43.6 ttm -59.94 -39.68 86.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.214 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.562 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 23.6 p -66.08 -35.98 81.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.2 m -61.64 -36.6 81.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' OG ' ' A' ' 76' ' ' SER . 59.0 mt -74.15 -37.03 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.821 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.16 81.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.59 -9.84 45.57 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 68.5 p -84.13 -39.65 19.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.105 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -64.86 -33.21 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.93 -34.83 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.307 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.68 -36.29 83.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.563 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 m -59.84 -55.73 30.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.946 174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 48' ' ' MET . 68.2 mt -55.91 -52.57 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.926 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.19 -36.12 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.408 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.1 m -71.65 -40.66 69.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 51' ' ' SER . 90.8 mt -62.84 -35.95 81.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.706 0.288 . . . . 0.0 110.361 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' HA ' ' OG1' ' A' ' 61' ' ' THR . . . -65.76 -48.04 73.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.743 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.13 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -88.4 0.88 55.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.603 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 41.79 55.25 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 114.525 0.57 . . . . 0.0 114.525 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG3' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.25 18.61 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.35 0.575 . . . . 0.0 111.037 176.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -88.69 139.56 30.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.943 0.401 . . . . 0.0 111.765 178.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.48 ' OG ' ' HE2' ' A' ' 65' ' ' LYS . 36.3 p -150.82 152.04 31.23 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.47 -38.1 43.24 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.327 2.684 . . . . 0.0 113.592 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -73.21 -40.4 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HE2' ' OG ' ' A' ' 62' ' ' SER . 53.4 mtmt -78.52 -24.17 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.42 -33.58 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.49 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.2 tt0 -69.26 -39.86 78.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.231 176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . . . -57.28 -36.01 70.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.379 0.609 . . . . 0.0 110.647 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -74.8 -1.66 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.4 -50.46 6.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.555 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 86.6 mmm -70.55 -37.4 74.02 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.994 0.426 . . . . 0.0 110.268 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 77' ' ' MET . 82.5 t80 -71.8 -47.24 54.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.298 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.56 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.416 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.402 . . . . 0.0 110.247 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.532 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 12.3 t -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.724 0.774 . . . . 0.0 110.048 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.667 ' SD ' ' HG3' ' A' ' 41' ' ' MET . 20.7 mmt -73.99 -30.36 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.947 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.79 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.802 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.532 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 14.1 pt-20 -64.0 -37.63 88.14 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.628 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 76' ' ' SER . 11.3 mt -65.27 -52.4 52.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.432 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.39 77.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.77 82.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.325 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -66.78 -60.89 2.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.899 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.99 159.73 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.357 0.598 . . . . 0.0 112.1 -171.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -160.05 -164.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.695 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -34.2 0.74 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.996 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.76 -41.27 5.71 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.53 167.33 23.57 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.724 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -81.5 -177.69 6.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.469 0.176 . . . . 0.0 110.555 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.528 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 65.6 tp -50.97 -40.69 58.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.115 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -45.06 93.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.419 0.628 . . . . 0.0 110.454 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -68.95 -51.23 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.628 -174.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.528 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 60.6 pttt -66.7 -31.31 71.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.757 0.313 . . . . 0.0 111.404 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -72.16 -43.6 64.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.368 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.4 t -65.44 -34.24 77.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.524 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.9 m -57.71 -44.17 85.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.626 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.19 -50.48 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.53 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.8 t -65.25 -44.28 88.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.65 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.387 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.2 mmt -61.45 -42.82 99.36 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.475 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 22.9 m -63.52 -34.22 77.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.319 0.581 . . . . 0.0 110.07 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.7 t30 -67.83 -44.67 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.807 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.36 68.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.52 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 34.8 m-85 -66.09 -37.08 84.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.386 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.2 mt -70.01 -22.94 63.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.741 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.6 mm-40 -82.76 -37.89 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -62.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.792 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.9 p -101.06 -44.56 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.781 0.325 . . . . 0.0 111.597 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.98 4.11 19.08 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.3 p -142.27 147.41 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.37 133.48 67.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.902 0.382 . . . . 0.0 111.35 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.27 117.55 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.855 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 59.4 tt0 -65.1 -55.59 25.72 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.3 Cg_endo -56.01 -34.54 92.6 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.178 1.918 . . . . 0.0 112.731 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 120' ' ' ILE . 63.4 t80 -53.5 -48.77 68.68 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.769 176.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.28 -32.22 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.926 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 118' ' ' ASN . 0.9 OUTLIER -70.81 -45.63 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -178.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.749 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.3 mm -59.12 -37.66 69.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.599 -177.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.6 p -65.64 -23.32 66.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 111.318 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.7 -35.56 62.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.425 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.74 -48.14 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.105 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.67 -33.0 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.79 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.8 t -71.86 -44.76 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.248 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.4 ptm -70.1 -40.28 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -66.6 -20.7 66.07 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.466 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -82.1 -22.28 36.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.993 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.03 61.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.175 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.79 29.62 61.83 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.397 -0.819 . . . . 0.0 113.87 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -78.93 6.04 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.874 0.845 . . . . 0.0 110.755 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.246 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.739 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.503 ' O ' HG22 ' B' ' 11' ' ' THR . 7.9 p . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.22 -6.25 14.32 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.294 1.996 . . . . 0.0 112.667 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 17.5 p90 -128.77 12.62 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.503 HG22 ' O ' ' B' ' 8' ' ' THR . 9.3 t -77.15 -16.07 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.575 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -149.58 150.66 31.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.616 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 51.5 Cg_exo -55.78 -33.57 88.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.921 2.414 . . . . 0.0 112.671 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.79 -54.65 35.65 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.887 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.78 -34.8 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.547 -0.384 . . . . 0.0 110.773 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.93 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 11.1 pt-20 -71.88 -40.15 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.706 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.25 -32.88 74.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.478 0.18 . . . . 0.0 111.141 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.406 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 21.6 ptp -78.64 -26.53 45.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.327 -175.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -66.03 -48.36 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.183 0.516 . . . . 0.0 110.191 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 15.7 m -74.34 -10.74 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.979 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.58 -53.46 10.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.339 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' B' ' 42' ' ' SER . 25.7 mtp -71.65 -23.3 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.857 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 22' ' ' SER . 8.2 pt20 -62.06 -33.4 74.33 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.6 -26.12 21.18 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.518 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.04 -33.85 75.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.372 . . . . 0.0 110.33 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -67.0 -6.58 17.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -111.26 11.29 21.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.977 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -101.15 135.22 19.96 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.15 -22.18 35.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 123.279 2.653 . . . . 0.0 113.561 -175.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.47 -21.34 77.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.772 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -105.9 159.52 15.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.315 0.579 . . . . 0.0 112.121 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 60.7 p -117.32 167.14 11.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.834 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.06 69.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -61.01 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.465 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' B' ' 41' ' ' MET . 10.6 mm100 -70.4 -30.81 67.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.173 0.511 . . . . 0.0 110.85 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.54 11.23 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.983 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.15 -42.13 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.816 172.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -54.5 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.052 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 12.4 ptm -67.77 -24.39 65.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -174.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.419 ' HA ' ' SD ' ' B' ' 24' ' ' MET . 12.9 m -65.11 -22.75 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 52.4 m -71.67 -37.03 70.83 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.688 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mt -77.06 -32.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.7 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 0.0 110.777 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . 0.454 ' O ' HG22 ' B' ' 49' ' ' VAL . 2.7 pt20 -77.98 -22.63 49.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.036 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.448 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 28.0 t -64.14 -43.65 94.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.465 ' O ' HG13 ' B' ' 52' ' ' ILE . 72.6 mmm -64.85 -45.97 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.716 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 46' ' ' GLN . 5.2 m -64.35 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -67.73 -29.28 68.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.83 0.348 . . . . 0.0 110.74 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 22.2 m -75.58 -45.79 35.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 48' ' ' MET . 82.1 mt -61.19 -50.14 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.297 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 3.7 pt20 -61.71 -38.13 86.74 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.623 0.249 . . . . 0.0 111.253 -177.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -66.9 -37.45 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 51' ' ' SER . 67.5 mt -66.77 -36.58 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.52 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.73 87.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.12 74.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.158 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -87.28 2.43 50.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.358 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.19 42.64 99.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.912 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -104.21 -6.86 20.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.403 . . . . 0.0 109.978 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 18.6 p -87.46 166.25 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.585 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.52 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 81.5 p -169.01 162.22 7.86 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 13.6 Cg_endo -51.51 -40.7 62.88 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.204 2.603 . . . . 0.0 112.936 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -87.92 -21.31 25.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.099 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.631 ' CD ' ' HA ' ' A' ' 40' ' ' ASP . 51.8 mtmt -92.02 -15.88 27.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.323 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -77.31 -35.18 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.827 0.346 . . . . 0.0 110.787 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.74 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.455 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -68.49 -8.44 41.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.024 0.44 . . . . 0.0 111.739 -176.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -102.02 12.92 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 -54.2 3.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 175.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' MET . . . . . 0.52 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 94.8 mmm -69.41 -36.68 76.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.949 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.7 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.427 0.454 . . . . 0.0 110.765 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.402 ' N ' ' HE1' ' B' ' 48' ' ' MET . 71.0 t80 -69.13 -51.92 33.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.553 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.01 72.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.635 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 31.5 t -75.79 -38.82 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' B' ' 79' ' ' GLU . 12.2 t -68.12 -31.26 70.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.218 0.532 . . . . 0.0 110.163 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 30.5 mmt -66.67 -39.91 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.289 176.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.34 86.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.992 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.616 ' OE2' ' HA ' ' A' ' 68' ' ' ALA . 31.2 tt0 -53.99 -59.49 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.855 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mt -59.39 -42.42 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.54 92.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.426 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.423 ' HA ' HD11 ' B' ' 90' ' ' LEU . . . -81.32 -23.59 37.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.425 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.15 -44.26 96.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.848 0.356 . . . . 0.0 111.647 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.39 159.54 35.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.96 -153.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.65 -155.08 6.53 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.219 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.08 -12.21 71.41 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.79 -112.51 3.71 Favored Glycine 0 N--CA 1.438 -1.222 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.681 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -131.51 150.78 52.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.596 0.236 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' B' ' 82' ' ' ALA . 58.5 tp -58.66 -42.29 88.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -63.62 -22.68 67.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.459 -178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.3 m -70.47 -28.67 65.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.18 -36.24 81.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -55.73 -49.58 72.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.046 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 35.6 t -68.44 -36.13 78.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.53 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 52.0 m -59.98 -50.03 75.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.63 -48.4 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -44.36 78.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 111.146 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 58.6 m -62.89 -49.17 75.88 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.282 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.49 65.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.804 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.9 mmt -64.01 -45.03 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.16 0.505 . . . . 0.0 109.791 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.7 m -61.1 -38.61 86.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.987 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.3 t30 -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.773 176.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.05 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.464 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.3 m-85 -64.67 -37.09 86.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.031 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -22.57 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 70.2 mm-40 -83.87 -18.76 36.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -107.99 -70.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -88.42 -47.77 8.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.264 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.07 10.59 17.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.452 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.9 p -143.77 146.39 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.06 124.48 59.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.944 0.402 . . . . 0.0 111.245 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -85.07 97.98 10.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.37 -42.74 97.52 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.69 -38.24 36.54 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.942 1.761 . . . . 0.0 112.506 174.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.575 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.2 t80 -66.45 -53.39 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.044 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.02 -42.0 84.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.473 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -62.95 -39.99 96.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.559 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -73.4 -28.1 61.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.605 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 116' ' ' PHE . 48.4 mm -61.79 -38.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 75.2 p -60.25 -41.62 93.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.12 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.35 -35.9 81.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' B' ' 126' ' ' MET . 93.9 mt -57.85 -46.45 84.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.96 -42.54 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.025 0.44 . . . . 0.0 110.474 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 15.9 p -87.57 14.0 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.1 ptm -116.48 -39.62 3.33 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.223 176.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.0 -23.55 65.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.088 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.27 76.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.406 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -75.08 -24.76 58.21 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.88 -50.29 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.069 0.461 . . . . 0.0 109.938 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.07 2.1 61.28 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.894 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.6 -2.41 19.83 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.357 0.579 . . . . 0.0 111.864 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.49 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.992 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.543 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.509 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 22.7 Cg_exo -65.83 -7.06 15.54 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.397 2.065 . . . . 0.0 112.587 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -134.47 24.3 3.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.594 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.554 HG23 ' OD1' ' A' ' 12' ' ' ASN . 7.4 t -71.9 -38.08 70.0 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.617 0.246 . . . . 0.0 111.585 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.554 ' OD1' HG23 ' A' ' 11' ' ' THR . 2.1 p-10 -157.14 161.49 29.34 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 12' ' ' ASN . 51.3 Cg_endo -68.15 37.99 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.375 2.717 . . . . 0.0 113.452 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 12' ' ' ASN . . . -129.02 2.19 6.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.74 -34.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.865 -0.667 . . . . 0.0 110.298 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -57.0 -37.31 71.48 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.069 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.65 22.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.336 0.589 . . . . 0.0 110.956 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.6 -22.49 65.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.306 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.41 -51.0 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.549 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' HG2' ' A' ' 24' ' ' MET . 2.0 mpt? -60.94 -46.16 91.79 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.448 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 41.7 m-80 -57.57 -48.51 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.09 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.56 -44.91 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.451 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 84.2 t80 -58.88 -48.96 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.267 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 20' ' ' MET . 75.8 mmm -60.01 -37.89 81.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 93.1 mt-30 -66.27 -42.48 88.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.52 73.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.294 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 tp -68.92 -29.45 67.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.673 0.273 . . . . 0.0 111.317 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -69.02 -6.48 28.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.756 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -110.83 13.97 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.885 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.45 146.1 31.43 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.14 -20.15 11.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.23 2.62 . . . . 0.0 113.467 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 -3.49 88.7 Favored Glycine 0 C--N 1.319 -0.366 0 C-N-CA 121.039 -0.601 . . . . 0.0 114.53 -171.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.443 ' CE1' HD13 ' A' ' 27' ' ' LEU . 33.0 m-85 -119.4 168.58 10.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.772 0.786 . . . . 0.0 112.725 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.402 ' O ' HD23 ' A' ' 38' ' ' LEU . 80.9 p -110.77 -174.26 2.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.418 -177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.36 -18.2 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.3 p -88.16 -48.73 7.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.552 -176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.7 mp0 -57.26 -34.95 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.097 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 34' ' ' THR . 2.0 mm? -62.16 -32.5 73.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.237 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.71 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.521 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -56.35 -50.12 72.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 7.5 ptp -73.98 -35.89 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.378 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -60.64 -36.18 78.0 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.358 0.599 . . . . 0.0 109.472 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 m -65.16 -47.11 78.17 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.632 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mt -62.81 -38.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.848 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.43 2.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.67 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -60.12 -39.1 85.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.921 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.439 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 22.5 m -59.46 -41.69 90.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.945 0.402 . . . . 0.0 110.721 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.449 ' O ' HG13 ' A' ' 52' ' ' ILE . 71.5 mmm -72.78 -45.8 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.758 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.98 -51.25 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.555 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.66 -40.94 96.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.67 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.517 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.3 m -61.54 -42.15 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.503 0.192 . . . . 0.0 110.791 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 63.0 mt -57.05 -48.55 81.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.964 0.412 . . . . 0.0 110.867 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -68.79 -29.04 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m -71.17 -33.31 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.337 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 51' ' ' SER . 73.7 mt -68.13 -33.55 74.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.107 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.54 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.035 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.26 -21.44 62.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.421 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -100.76 -13.91 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.62 36.88 11.2 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.876 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HG3' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -115.46 11.92 16.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 176.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.75 126.88 31.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.323 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 m -152.77 154.23 31.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.7 -54.29 5.69 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.107 2.538 . . . . 0.0 112.935 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.42 -39.14 92.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.556 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -63.13 -45.35 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.264 0.554 . . . . 0.0 110.445 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.05 -35.51 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.14 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -58.61 -42.12 87.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.95 86.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.998 0.428 . . . . 0.0 110.393 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 mt -68.55 -32.42 72.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -48.14 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.73 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.931 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' B' ' 76' ' ' SER . . . -51.65 -39.83 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.742 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.647 ' O ' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -70.3 -45.17 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.83 87.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.242 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -71.52 -39.72 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.348 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.5 p -69.71 -30.5 68.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.441 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.647 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -64.64 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -44.65 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.204 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.02 -56.91 14.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.067 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 76' ' ' SER . 40.1 mt -56.11 -45.94 80.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.84 70.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.202 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.304 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -68.4 -79.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.37 163.83 12.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -161.32 165.8 28.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.053 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.03 -86.66 0.1 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.36 17.09 59.04 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.69 118.96 2.74 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 10.3 m -72.75 173.0 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 5.7 tt -50.72 -46.99 59.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -62.85 -43.93 97.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -64.12 -52.31 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.427 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.5 pttt -67.69 -32.29 72.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.3 m -68.22 -46.38 70.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 0.0 110.701 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 m -65.81 -32.14 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -61.08 -43.44 98.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.765 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.2 -45.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.607 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.0 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.215 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.555 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -79.06 -23.45 44.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.055 0.455 . . . . 0.0 110.806 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.453 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 24.4 mmt -75.15 -47.65 27.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.283 176.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -63.83 -38.31 90.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.626 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.555 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.8 OUTLIER -76.7 -21.8 54.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.397 -178.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.45 -38.32 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.994 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.6 m-85 -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 110.856 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.38 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.144 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.4 mm-40 -84.63 -43.33 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.862 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -78.94 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 111.744 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.3 p -95.5 -45.99 6.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.981 0.419 . . . . 0.0 111.114 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.61 1.69 27.49 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.4 p -138.84 148.32 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.1 125.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.097 0.475 . . . . 0.0 110.91 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.42 108.72 15.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.592 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.3 tt0 -61.65 -41.24 76.94 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 87.8 Cg_exo -44.05 -41.66 12.59 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.471 2.114 . . . . 0.0 113.011 174.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.554 ' O ' HG12 ' A' ' 120' ' ' ILE . 87.6 t80 -63.65 -46.29 86.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.46 -33.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.832 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.63 -27.93 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.766 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -86.19 -30.89 22.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.0 mm -59.13 -39.38 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.226 -178.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.4 p -63.99 -34.43 77.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -72.65 -27.77 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.958 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.72 -50.61 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.529 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.3 t -62.03 -35.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.41 0.624 . . . . 0.0 110.021 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -69.56 -45.62 68.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.518 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.96 -38.62 83.0 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.28 -19.27 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.648 0.261 . . . . 0.0 111.377 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.85 94.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.275 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.51 -26.55 45.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.724 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.68 -58.19 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.486 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.96 70.2 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 113.085 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -78.71 7.55 6.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 111.072 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . 0.408 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.19 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.89 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.22 -25.11 57.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.122 1.881 . . . . 0.0 111.912 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' TRP . . . . . 0.406 ' HE3' ' OD1' ' B' ' 70' ' ' ASN . 15.3 p90 -97.1 17.51 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.544 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 14.9 t -72.41 -16.7 61.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -151.84 148.6 21.99 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.62 48.67 2.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.403 2.735 . . . . 0.0 112.878 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.54 -41.2 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -76.21 -37.71 57.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.683 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.88 -41.6 67.72 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -174.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -13.47 61.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -72.04 -22.18 61.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 110.416 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -63.36 -50.07 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.545 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 20' ' ' MET . 1.9 mpt? -58.83 -45.45 89.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.533 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 52.8 m-80 -61.61 -50.97 70.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -62.08 -38.95 90.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.931 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.66 -49.81 75.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.7 mt-30 -63.71 -46.81 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.478 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.12 -39.17 63.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.428 HD11 ' CE1' ' B' ' 33' ' ' PHE . 28.9 tp -66.94 -31.32 71.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.804 0.335 . . . . 0.0 111.249 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -5.17 37.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 110.826 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -105.79 14.87 27.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.323 0.582 . . . . 0.0 109.685 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.2 mmt -102.73 144.33 28.4 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.743 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -23.49 24.23 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.013 2.475 . . . . 0.0 112.889 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . 0.464 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -66.43 -32.23 81.18 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.374 -176.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.428 ' CE1' HD11 ' B' ' 27' ' ' LEU . 74.8 m-85 -107.9 138.03 44.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 0.0 111.497 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.403 HG23 ' HA3' ' B' ' 86' ' ' GLY . 6.5 p -87.77 159.15 18.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.854 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -12.75 14.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.8 p -105.47 -16.37 14.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.43 0.633 . . . . 0.0 109.814 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -77.83 -29.17 50.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.084 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.77 -23.74 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.711 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.08 -39.19 88.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.25 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -72.39 -37.32 68.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.431 ' HB2' ' CE ' ' B' ' 77' ' ' MET . 6.7 ptm -87.7 -21.44 25.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.4 t -65.38 -28.89 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.0 m -59.05 -45.25 91.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.427 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mt -71.94 -33.26 47.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.684 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.402 ' O ' HG22 ' B' ' 49' ' ' VAL . . . -51.28 -55.93 15.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.36 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -63.6 -34.36 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.194 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 36.7 m -61.62 -42.56 99.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.882 0.372 . . . . 0.0 110.635 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.473 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.3 mmm -73.56 -38.25 65.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.3 t -59.06 -57.09 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.772 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.99 -30.92 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.465 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 32.2 t -60.15 -45.38 93.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.048 0.451 . . . . 0.0 110.176 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.89 -43.03 98.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.641 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 4.5 mm100 -62.29 -39.13 91.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.618 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -66.94 -36.73 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.963 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.14 -36.21 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.976 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.78 81.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.54 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.44 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.03 -14.96 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 49.45 5.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.617 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 73.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -116.03 131.75 56.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' B' ' 65' ' ' LYS . 11.5 m -154.83 154.99 29.92 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.73 -45.77 34.36 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.83 2.353 . . . . 0.0 111.972 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -81.0 0.95 33.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.349 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.475 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 7.0 tppt? -98.7 -40.17 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.47 -25.76 45.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.053 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.3 tt0 -58.07 -44.6 87.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.807 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.27 -3.43 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' B' ' 10' ' ' TRP . 1.0 OUTLIER -90.91 -48.93 6.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.29 -40.76 90.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.07 -43.72 78.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.784 0.326 . . . . 0.0 110.659 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.473 ' N ' ' HE2' ' B' ' 48' ' ' MET . 58.8 t80 -64.56 -46.89 80.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.287 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.7 78.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -69.87 -41.63 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.235 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' SER . . . . . 0.483 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 74.6 p -73.54 -3.8 30.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.613 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 27.7 mmt -103.03 -6.84 21.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.89 -52.02 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.795 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -70.82 -32.28 69.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.96 -175.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mt -58.36 -47.46 87.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . 0.495 ' CB ' HD13 ' B' ' 97' ' ' ILE . . . -75.34 -38.61 60.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.391 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.82 63.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -79.22 -62.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -79.14 148.82 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.004 0.43 . . . . 0.0 111.726 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -158.96 157.86 32.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.057 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -127.17 -87.94 0.62 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.509 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.85 -19.27 44.24 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.338 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . 0.464 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -108.57 151.1 17.08 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.2 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 16.2 m -92.64 -172.88 3.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.9 tp -57.64 -35.76 70.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.781 0.325 . . . . 0.0 110.99 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p -80.4 -2.8 47.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -107.42 -53.31 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.113 0.482 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 89' ' ' SER . 50.5 pttt -65.48 -30.67 71.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.753 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 35.8 m -64.94 -45.32 86.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.776 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -67.47 -30.73 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 0.0 110.284 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.597 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' B' ' 81' ' ' ALA . 62.8 mt -65.91 -43.01 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.66 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.67 -48.46 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -67.79 -42.57 81.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . 0.513 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -63.47 -33.74 76.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.025 0.44 . . . . 0.0 111.164 -179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.86 -46.43 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.436 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.4 p -67.33 -32.53 73.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.046 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 0.9 OUTLIER -81.17 -23.21 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.301 -178.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.23 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' PHE . . . . . 0.598 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.5 m-85 -63.95 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.49 -10.69 59.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 65.3 mm-40 -96.51 -19.81 18.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.334 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.88 -70.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.6 p -92.82 -34.13 13.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.168 0.508 . . . . 0.0 111.058 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 5.38 49.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.598 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.6 p -136.91 147.59 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.899 -0.65 . . . . 0.0 109.45 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.93 125.72 73.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.224 0.535 . . . . 0.0 110.839 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.84 120.96 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.814 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.458 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 9.4 tt0 -58.87 -50.29 88.79 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.04 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 52.6 Cg_endo -68.98 15.95 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.473 2.115 . . . . 0.0 113.51 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' PHE . . . . . 0.614 ' O ' HG12 ' B' ' 120' ' ' ILE . 42.7 t80 -106.96 -52.39 2.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 169.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.48 -36.42 77.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.053 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.34 -31.9 72.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.21 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.462 ' HA ' HE21 ' B' ' 122' ' ' GLN . 38.2 mm-40 -79.41 -32.5 42.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.745 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ILE . . . . . 0.614 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.2 mm -62.45 -43.5 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.191 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -63.67 -33.94 76.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.499 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' B' ' 119' ' ' GLU . 18.9 mt-30 -72.06 -32.28 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.706 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.47 -50.46 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.404 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 120' ' ' ILE . 39.4 t -57.61 -41.77 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 4.1 p -73.86 -37.19 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.024 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -72.68 -31.59 65.17 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -73.17 0.27 12.2 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 120.688 0.28 . . . . 0.0 111.458 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.01 -41.81 25.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.212 0.529 . . . . 0.0 110.056 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -77.36 -15.59 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.12 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.55 81.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.89 -26.07 4.99 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.554 173.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -77.03 -5.63 49.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.499 0.666 . . . . 0.0 111.261 -176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' ASN . . . . . 0.408 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.067 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -94.47 179.11 5.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.739 0.269 . . . . 0.0 110.773 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.12 174.3 54.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.693 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 69.87 82.36 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.2 0.6 . . . . 0.0 110.76 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -97.42 160.58 14.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.079 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -105.68 179.99 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.972 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -60.89 141.82 56.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.391 0.615 . . . . 0.0 110.956 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.41 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.7 p -153.08 158.07 32.91 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.578 -177.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HG3' ' CE1' ' A' ' 105' ' ' PHE . 57.4 Cg_endo -71.63 0.44 6.96 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.23 1.954 . . . . 0.0 112.623 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -130.12 18.45 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.41 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -76.87 -15.21 59.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -153.35 152.4 27.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.5 Cg_exo -53.09 -36.01 74.84 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.921 2.414 . . . . 0.0 112.883 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.34 -56.56 23.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.55 -30.49 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.532 -0.393 . . . . 0.0 110.76 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.11 90.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 9.8 pt-20 -75.62 -28.74 58.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.6 -22.32 60.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.032 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -55.62 -55.64 29.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.391 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -27.42 60.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.327 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -67.68 -47.11 70.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -78.45 -9.51 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.068 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -85.52 -50.97 6.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.05 -35.43 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.67 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -64.57 -29.98 71.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.14 -37.85 6.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.878 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.44 -26.78 67.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -66.52 -12.09 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -112.98 16.33 19.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.905 0.383 . . . . 0.0 110.434 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -94.03 139.61 22.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.566 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.94 -27.84 25.12 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.095 2.53 . . . . 0.0 113.512 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.17 -1.19 87.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.675 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.55 154.14 32.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.692 0.758 . . . . 0.0 112.738 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 21.4 p -115.82 162.76 16.84 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.542 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.68 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -55.47 -47.27 76.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.538 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.638 ' O ' ' HG2' ' A' ' 41' ' ' MET . 49.3 mt-30 -67.54 -46.17 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 34' ' ' THR . 96.5 mt -57.63 -38.76 75.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.84 -175.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.86 -43.34 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.263 0.554 . . . . 0.0 110.899 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 3.5 t70 -69.47 -45.45 68.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.751 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.638 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 8.3 ptp -74.58 -30.06 61.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 p -66.96 -28.88 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 109.525 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.9 m -64.56 -44.94 89.16 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.957 174.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.5 mt -68.47 -33.81 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.686 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.33 -49.76 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -74.95 -17.83 60.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.844 0.354 . . . . 0.0 111.279 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.478 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 51.0 m -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.906 0.384 . . . . 0.0 110.433 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 52' ' ' ILE . 95.1 mmm -68.23 -45.8 72.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.761 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.0 m -65.22 -37.77 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.75 0.309 . . . . 0.0 110.833 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -67.0 -30.3 70.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.574 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.595 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 47.2 t -69.47 -43.05 74.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 0.0 110.146 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 48' ' ' MET . 80.4 mt -62.84 -51.01 77.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.0 pt20 -63.73 -31.29 72.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.19 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 66.2 m -63.52 -45.3 91.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.116 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.1 -36.36 83.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.23 86.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.78 73.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.631 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 26.9 mt-30 -78.99 -20.46 49.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.04 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.12 30.14 43.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.164 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 42.4 mtp180 -109.66 6.64 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.051 0.453 . . . . 0.0 110.488 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.68 123.54 25.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.25 0.547 . . . . 0.0 111.863 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -144.77 155.34 56.17 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.46 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.21 -33.03 62.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.175 2.583 . . . . 0.0 113.195 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.9 -54.64 31.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.582 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HD3' HG22 ' B' ' 43' ' ' THR . 55.0 mttm -65.45 -36.8 84.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.901 -177.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.395 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.604 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -67.71 -42.95 81.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 176.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.81 93.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.764 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.23 -31.22 69.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -45.5 93.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.6 mmm -70.78 -39.17 73.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.754 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -54.47 -39.49 67.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' A' ' 77' ' ' MET . 84.4 t80 -71.54 -46.67 58.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 177.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.63 78.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.014 0.435 . . . . 0.0 111.272 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -73.95 -39.85 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.065 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.432 ' O ' HG13 ' A' ' 80' ' ' ILE . 7.7 p -69.72 -36.43 75.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.788 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.5 mmt -64.2 -40.58 96.37 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.5 93.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.192 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -55.07 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.283 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 76' ' ' SER . 37.1 mt -49.21 -45.55 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 O-C-N 123.519 0.512 . . . . 0.0 111.58 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -46.29 63.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.022 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.024 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 44.9 m -55.28 -68.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.253 0.346 . . . . 0.0 110.711 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 83' ' ' SER . 12.6 mt-10 -167.55 133.31 2.04 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.778 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -91.36 -32.46 15.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.394 1.092 . . . . 0.0 110.478 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 -52.16 3.71 Favored Glycine 0 C--N 1.294 -1.786 0 CA-C-N 113.382 -1.735 . . . . 0.0 112.435 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.11 51.75 0.85 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.173 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.31 -134.44 2.17 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.237 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 48.0 t -155.81 151.45 27.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.499 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 46.1 tp -54.83 -42.25 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.554 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 p -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.423 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -58.91 -42.53 89.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.946 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.499 ' HE3' ' HA ' ' A' ' 90' ' ' LEU . 19.2 pttp -68.32 -36.63 79.58 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -65.14 -42.48 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 110.474 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.7 t -65.32 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.286 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.846 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.1 -45.7 95.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.861 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -47.59 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 111.23 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -66.43 -38.9 88.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.52 -32.57 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.414 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 21.7 mmt -63.43 -50.25 70.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.987 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -56.92 -35.59 69.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.401 0.62 . . . . 0.0 109.797 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.3 t30 -63.05 -45.5 91.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.138 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.46 89.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.497 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 9' ' ' PRO . 72.9 m-85 -65.17 -34.73 79.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.91 -15.49 58.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.4 mm-40 -88.36 -30.35 19.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -82.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.9 t -84.46 -33.05 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.26 13.85 25.68 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.624 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -149.44 151.0 13.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.47 136.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 19.2 m120 -63.6 -36.54 84.14 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.928 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 7.3 tp60 103.77 -64.67 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.253 1.421 . . . . 0.0 113.092 175.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 17.3 Cg_exo -66.95 -22.98 47.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 121.351 1.518 . . . . 0.0 111.83 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.639 ' O ' HG12 ' A' ' 120' ' ' ILE . 30.6 t80 -53.21 -52.19 59.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.37 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.3 mm -60.9 -38.91 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.675 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -63.97 -45.04 90.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.755 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.482 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 52.9 mm-40 -65.88 -32.94 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -177.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.639 HG12 ' O ' ' A' ' 116' ' ' PHE . 48.1 mm -63.33 -35.94 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.147 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.6 p -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.066 0.46 . . . . 0.0 110.587 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.482 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 10.1 mt-30 -71.33 -43.45 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.294 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.79 -49.1 78.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.088 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 120' ' ' ILE . 4.1 t -68.68 -12.31 15.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.5 m -116.55 4.32 13.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.1 ptm -104.15 -43.66 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.379 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -65.61 -20.0 66.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.91 90.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.5 mp0 -74.27 -33.21 63.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.52 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.27 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.91 40.76 99.29 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.198 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -85.6 15.84 4.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.858 0.837 . . . . 0.0 110.321 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -42.17 5.66 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.831 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.15 -57.35 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 0.0 109.414 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.0 m 36.97 33.82 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 124.561 1.163 . . . . 0.0 113.801 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.8 m 55.97 28.6 12.94 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.117 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.493 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -60.08 118.52 6.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.47 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.77 -150.91 5.47 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.746 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 54.52 49.43 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 0.0 110.23 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 127.04 29.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.495 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -103.88 -175.52 2.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.13 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.8 t -64.63 144.52 57.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.801 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.443 ' O ' HG22 ' B' ' 11' ' ' THR . 1.6 p -154.22 166.63 15.44 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.863 -177.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.52 2.23 2.09 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.403 2.068 . . . . 0.0 112.619 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -139.73 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.447 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 8' ' ' THR . 8.8 t -77.85 -22.41 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.055 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -148.97 152.8 37.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.18 -35.78 43.98 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.486 2.791 . . . . 0.0 113.352 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.04 71.22 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.818 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.76 0.314 . . . . 0.0 110.581 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.89 67.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.69 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.552 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 12.2 pt-20 -68.81 -33.08 73.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.11 0.481 . . . . 0.0 110.639 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.38 -27.03 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.68 -59.48 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.612 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.7 OUTLIER -71.65 -26.94 62.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.397 -174.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 22.7 m-80 -65.69 -52.34 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.665 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.435 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 44.5 p -68.67 -29.74 68.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 111.015 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -59.0 -49.91 76.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' B' ' 20' ' ' MET . 81.9 mmm -62.55 -36.14 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 86.8 mt-30 -60.7 -42.79 97.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.397 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.2 -37.14 29.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.451 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD12 ' CE1' ' B' ' 33' ' ' PHE . 34.6 tp -66.49 -31.46 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -177.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.5 t -67.12 -9.24 37.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -109.78 16.48 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.121 0.486 . . . . 0.0 110.068 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -101.17 134.19 20.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.56 -23.47 36.95 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.187 2.591 . . . . 0.0 113.037 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.55 -7.11 87.15 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.072 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' B' ' 27' ' ' LEU . 29.0 m-85 -116.77 159.14 22.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.531 0.681 . . . . 0.0 112.15 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.1 p -124.42 169.1 12.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.447 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.93 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m -60.09 -43.44 95.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.675 ' O ' ' HG3' ' B' ' 41' ' ' MET . 50.7 mt-30 -66.54 -53.98 28.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.443 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.75 -35.3 66.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.684 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.25 -45.4 94.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.016 0.436 . . . . 0.0 110.882 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.56 -44.88 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.258 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' B' ' 37' ' ' GLN . 36.5 mtp -65.42 -34.04 77.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.972 -174.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.49 ' OG ' ' HE3' ' B' ' 24' ' ' MET . 50.9 m -67.18 -14.86 63.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.551 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 13.2 m -73.22 -42.31 62.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -66.74 -37.38 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.834 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.43 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.274 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.8 OUTLIER -76.6 -18.99 58.32 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.314 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.595 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 68.3 m -72.76 -43.35 62.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 110.408 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.479 ' O ' HG13 ' B' ' 52' ' ' ILE . 85.4 mmm -66.65 -46.37 75.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.598 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.552 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 23.7 m -62.64 -37.75 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.654 0.264 . . . . 0.0 111.096 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.478 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 8.2 t -73.98 -41.67 61.6 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 48' ' ' MET . 85.2 mt -61.86 -47.52 92.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.4 pt20 -67.26 -29.42 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.235 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -66.13 -38.85 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.09 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.505 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.41 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.791 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.79 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 110.783 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.13 -6.99 43.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.478 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 24.74 76.62 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.767 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.99 24.96 11.12 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.03 125.06 34.84 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.224 0.535 . . . . 0.0 111.66 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 43.3 m -143.79 155.15 59.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.543 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 17.3 Cg_endo -52.93 -44.19 50.61 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.46 2.773 . . . . 0.0 112.911 -175.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -69.99 -41.06 74.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.6 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.461 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 56.5 mttm -66.21 -35.29 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.178 0.513 . . . . 0.0 110.673 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.14 -32.08 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.33 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -66.78 -42.92 85.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.047 174.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.79 -24.69 67.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -94.91 3.76 54.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.216 0.531 . . . . 0.0 110.195 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -94.57 -51.5 4.72 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.95 -34.6 73.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.277 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.406 ' N ' ' HE1' ' B' ' 48' ' ' MET . 83.8 t80 -63.58 -48.97 75.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.586 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.517 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -76.62 -35.22 58.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.213 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.619 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 57.8 p -81.0 4.99 17.73 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.503 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 21.7 mmt -106.7 -11.87 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.315 0.578 . . . . 0.0 109.781 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 -44.58 12.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.63 -174.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.619 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -72.75 -32.35 65.59 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.853 -176.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' B' ' 41' ' ' MET . 4.0 mt -55.17 -50.31 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.02 57.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.66 70.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.869 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -67.7 -68.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -139.5 114.57 9.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' B' ' 85' ' ' GLU . 0.0 OUTLIER -97.16 -30.14 13.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.513 1.149 . . . . 0.0 109.654 177.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.56 -53.22 4.06 Favored Glycine 0 C--N 1.298 -1.566 0 CA-C-N 113.313 -1.767 . . . . 0.0 112.483 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.27 55.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.171 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 -155.21 7.0 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.086 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 38.9 t -141.29 166.5 24.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.515 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 0.3 OUTLIER -56.38 -49.25 74.99 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.584 0.552 . . . . 0.0 110.141 -177.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 7.1 p -70.92 -45.26 64.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.206 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -56.77 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.3 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 54.9 pttt -69.5 -29.3 66.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.119 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 60.0 m -67.11 -43.8 81.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -67.84 -37.08 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -59.98 -48.5 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.522 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.85 -46.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.63 0.252 . . . . 0.0 110.669 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.33 85.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.577 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.11 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -60.52 -43.26 97.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.237 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -55.06 -51.83 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -54.47 -41.38 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.888 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.08 -27.66 65.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.032 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.519 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 46.2 m-85 -73.43 -31.43 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.23 0.538 . . . . 0.0 110.619 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.7 -21.04 45.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.285 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.0 mm-40 -84.01 -25.04 30.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.58 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.0 p -91.52 -66.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.429 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -105.89 -26.59 11.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.664 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 16.33 23.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.485 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.4 p -159.77 152.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.95 128.59 51.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.586 0.231 . . . . 0.0 110.421 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.618 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 0.2 OUTLIER -57.71 -41.67 82.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 103.99 -67.72 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 125.476 1.51 . . . . 0.0 112.913 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 11.1 Cg_endo -53.8 -31.87 63.78 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.231 1.954 . . . . 0.0 112.72 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.619 ' O ' HG12 ' B' ' 120' ' ' ILE . 49.0 t80 -53.98 -55.39 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.3 -37.24 78.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.219 0.533 . . . . 0.0 110.959 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.32 -28.26 67.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.041 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -89.74 -22.62 22.1 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.045 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.619 HG12 ' O ' ' B' ' 116' ' ' PHE . 46.2 mm -65.95 -37.64 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.68 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 17.6 p -62.22 -33.31 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.132 0.491 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -69.61 -37.54 76.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.61 -49.06 79.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.079 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.76 -38.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.037 0.446 . . . . 0.0 110.966 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 17.0 t -81.81 -11.51 58.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.663 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -98.93 -36.64 9.69 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -66.91 -16.23 64.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.684 0.278 . . . . 0.0 111.691 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.538 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.418 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.6 mp0 -88.29 -7.58 56.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.075 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' A' ' 119' ' ' GLU . . . -53.64 -43.99 69.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.345 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.17 -18.16 5.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.916 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -78.77 5.27 11.69 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.777 0.798 . . . . 0.0 111.207 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.604 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -96.49 -26.35 15.32 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.516 175.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.6 -45.57 7.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.575 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 33.0 m 41.72 30.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 124.641 1.213 . . . . 0.0 113.954 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 50.3 m 54.56 34.4 21.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.865 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.572 179.51 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -93.33 108.15 19.85 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.8 57.19 0.45 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.287 -0.958 . . . . 0.0 113.017 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -84.16 106.97 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.043 0.449 . . . . 0.0 110.138 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -94.55 160.24 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.657 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -89.76 163.0 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.4 t -115.2 156.87 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.998 0.428 . . . . 0.0 110.714 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -134.77 160.7 67.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.443 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.45 -3.61 11.33 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.72 2.28 . . . . 0.0 112.6 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -127.86 23.0 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -74.41 -11.57 60.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.419 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -151.89 153.12 31.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.74 -30.2 83.48 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.084 2.522 . . . . 0.0 112.726 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.49 -55.52 29.54 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.217 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.48 -28.95 68.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.794 0.33 . . . . 0.0 110.776 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.57 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.48 -30.9 62.02 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -54.41 -46.64 73.21 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.761 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.02 -40.02 75.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.367 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.6 mtt -71.91 -50.28 30.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.639 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -69.47 -27.81 65.54 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.775 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 59.3 m -69.49 -25.69 64.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.964 0.411 . . . . 0.0 110.789 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.87 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -33.53 74.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.766 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 18.8 pt20 -68.52 -21.16 64.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -178.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 -28.15 8.0 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.654 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 33' ' ' PHE . 37.4 tp -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.091 0.472 . . . . 0.0 110.303 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 35.0 p -68.26 -16.52 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.641 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -103.62 10.89 36.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.4 139.92 25.4 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.916 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.29 -21.78 40.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.138 2.559 . . . . 0.0 112.99 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.88 76.51 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.377 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.435 ' CE1' HD11 ' A' ' 27' ' ' LEU . 77.9 m-85 -115.4 169.28 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 111.603 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -119.64 152.33 37.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.775 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.54 66.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -71.37 -48.75 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.04 -18.28 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 0.0 111.118 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 57.3 mt -69.64 -24.48 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.02 -42.29 84.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.596 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.45 -42.36 92.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.942 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.47 ' HG2' HG23 ' A' ' 80' ' ' ILE . 30.6 mtp -68.58 -41.14 80.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.101 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -29.9 69.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.779 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 16.7 m -61.54 -42.38 98.74 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.863 0.364 . . . . 0.0 110.163 177.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -66.44 -37.72 80.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.304 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.65 75.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.866 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -74.1 -15.63 61.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.436 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 m -79.19 -41.53 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.984 0.421 . . . . 0.0 110.201 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.45 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 95.0 mmm -65.87 -44.0 86.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.624 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 33.4 m -66.55 -38.55 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.0 -38.74 82.99 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 121.251 -0.18 . . . . 0.0 110.712 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.634 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.2 t -58.15 -53.73 54.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.05 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.78 -51.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 48.3 mt-30 -61.65 -38.53 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.256 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.4 m -73.31 -32.54 64.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 51' ' ' SER . 75.3 mt -69.26 -34.82 75.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.411 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.56 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.971 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.18 78.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -77.64 -41.84 36.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.61 52.36 0.67 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.24 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG3' HD21 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -131.25 19.17 4.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.33 0.586 . . . . 0.0 110.049 173.513 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 162.01 15.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.683 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.446 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 31.2 t -170.79 149.95 2.99 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.9 -34.9 78.09 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.269 1.979 . . . . 0.0 111.452 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -75.63 -31.28 59.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.164 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 9.5 tppt? -72.88 -39.97 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.984 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 62' ' ' SER . 69.6 mt -65.95 -29.99 70.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.765 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 52.4 tt0 -58.56 -51.2 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.801 176.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.587 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -61.16 -30.51 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.324 0.583 . . . . 0.0 111.068 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 65' ' ' LYS . 3.9 mm? -70.43 -18.22 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.873 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -73.6 -56.3 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.7 mmm -65.66 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.36 71.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' N ' ' HE2' ' A' ' 48' ' ' MET . 60.3 t80 -79.02 -44.98 21.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.292 0.568 . . . . 0.0 110.265 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 120' ' ' ILE . . . -62.45 -33.87 75.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.963 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -74.96 -44.7 46.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.485 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.437 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.5 p -65.29 -33.03 75.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.876 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.521 ' HE1' ' HA ' ' A' ' 77' ' ' MET . 29.7 mmt -64.22 -38.72 92.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.78 83.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' B' ' 71' ' ' MET . 44.2 tt0 -57.71 -52.32 65.92 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.659 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 41' ' ' MET . 9.6 mt -64.64 -42.94 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.63 80.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.602 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.41 70.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.234 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 m -85.0 -50.04 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -92.49 134.96 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.576 0.703 . . . . 0.0 112.18 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.77 149.22 23.35 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.045 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.48 32.24 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.343 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.32 -47.48 0.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.46 159.66 23.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.961 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.4 p -95.87 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.619 0.209 . . . . 0.0 110.573 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.62 -36.73 72.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 p -74.94 -40.55 60.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.106 0.479 . . . . 0.0 110.559 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -63.39 -47.94 79.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.357 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.58 -38.37 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.781 0.324 . . . . 0.0 110.833 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.6 m -65.68 -47.77 74.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.5 t -66.28 -32.73 74.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.594 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -59.86 -48.27 82.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.32 -40.84 83.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.624 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.12 78.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.259 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 t -67.07 -43.1 83.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.588 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -67.21 -35.09 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.716 -178.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -66.37 -36.0 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.164 0.507 . . . . 0.0 110.187 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m -68.49 -39.88 81.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.1 p-10 -75.34 -20.15 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.561 -175.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.49 75.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 39.2 m-85 -65.93 -28.55 69.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 111.291 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.78 -7.06 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.309 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -98.06 -46.39 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -74.1 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.615 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -101.48 -55.0 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.895 0.378 . . . . 0.0 111.103 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.12 6.14 8.46 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.99 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -141.02 147.84 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -104.36 141.87 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.422 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 27.1 t-20 -100.68 123.51 44.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.51 -60.61 9.48 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.534 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 Cg_endo -49.1 -42.2 39.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.17 1.913 . . . . 0.0 112.631 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.596 ' O ' HG12 ' A' ' 120' ' ' ILE . 40.4 t80 -56.1 -56.25 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.3 . . . . 0.0 110.61 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.18 -42.16 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.8 -37.15 81.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 39.4 mm-40 -62.72 -38.14 89.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -59.85 -40.13 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.975 -177.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.6 p -67.34 -31.9 72.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 110.889 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -71.97 -33.86 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.21 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -48.46 81.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.39 -38.55 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 110.22 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 t -65.69 -47.33 75.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.158 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.3 ptm -69.69 -45.06 69.14 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.12 -23.65 67.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.33 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.98 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.149 0.499 . . . . 0.0 110.843 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.469 HE21 ' HB2' ' A' ' 129' ' ' GLN . 3.1 mt-30 -93.71 -27.68 16.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.764 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.64 3.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.986 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.86 89.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.562 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -79.72 8.37 6.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.945 0.878 . . . . 0.0 110.95 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -102.24 -36.22 8.58 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.443 178.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.95 -49.56 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.16 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.1 m 37.71 34.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 124.544 1.152 . . . . 0.0 113.604 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.0 p 50.14 33.19 6.75 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.917 0.887 . . . . 0.0 112.31 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -76.49 119.72 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.22 -150.63 5.32 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.092 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.433 ' N ' HD21 ' B' ' 4' ' ' ASN . 0.9 OUTLIER 67.46 40.27 2.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.794 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -61.97 136.86 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.86 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -79.32 167.8 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.4 t -91.05 151.57 20.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.356 0.598 . . . . 0.0 111.493 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.567 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 16.9 p -135.71 156.81 77.2 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.438 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 35.8 Cg_endo -67.37 1.92 2.69 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.186 1.924 . . . . 0.0 112.995 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . 0.438 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 9.8 p90 -134.77 10.93 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.567 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.8 t -76.72 -24.36 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.188 0.518 . . . . 0.0 110.438 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -141.8 150.6 57.23 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.57 -31.68 92.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.754 2.303 . . . . 0.0 112.829 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.77 -36.63 93.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.912 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.453 ' HA ' ' HB2' ' B' ' 18' ' ' ASN . 75.1 mt -84.72 -32.01 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.482 -0.422 . . . . 0.0 110.74 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.25 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.328 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -22.74 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.435 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.453 ' HB2' ' HA ' ' B' ' 15' ' ' LEU . 0.5 OUTLIER -63.57 -44.6 93.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.668 177.431 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.22 -38.88 66.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.882 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 16.0 mmt -62.18 -60.0 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.117 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.4 p30 -68.27 -30.5 69.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.272 -175.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -65.15 -38.0 89.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.02 -49.28 75.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.666 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 80.7 mmm -60.69 -36.71 79.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.392 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 81.1 mt-30 -57.11 -55.2 37.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 0.0 110.417 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.09 91.1 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.388 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.37 -32.26 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.684 0.278 . . . . 0.0 110.831 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -69.72 -6.41 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.646 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -112.66 9.69 19.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.597 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -92.75 144.46 28.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.731 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.55 -15.06 14.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.926 2.418 . . . . 0.0 113.045 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.432 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -74.37 -25.24 71.07 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.522 -176.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -122.08 152.77 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 111.164 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.428 HG21 ' O ' ' B' ' 86' ' ' GLY . 17.6 p -102.79 169.8 8.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.513 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.21 96.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.5 t -62.83 -35.18 79.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' B' ' 41' ' ' MET . 25.6 mm-40 -62.2 -52.06 65.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.887 0.375 . . . . 0.0 111.248 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.81 -27.61 69.0 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.1 -25.34 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.897 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.5 -35.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.454 ' HG2' HG22 ' B' ' 80' ' ' ILE . 43.6 mtp -72.99 -37.54 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.642 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.6 p -59.06 -24.54 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m -59.24 -39.94 84.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' B' ' 48' ' ' MET . 60.8 mt -72.99 -35.59 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 109.873 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.94 89.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 176.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.34 -18.4 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.872 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.451 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 59.4 p -83.31 -34.76 25.64 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.459 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 86.4 mmm -65.4 -43.61 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.112 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 31.7 m -68.49 -38.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.852 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -65.35 -39.32 92.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 23.2 t -60.02 -53.19 60.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.956 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 85.7 mt -55.21 -46.62 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.366 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.11 -40.85 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.001 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -70.21 -32.24 70.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' B' ' 51' ' ' SER . 78.3 mt -68.71 -37.3 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.12 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -27.6 63.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.465 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . 0.493 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 44.2 mt-30 -96.6 -3.27 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.21 14.7 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.616 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.493 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -133.41 20.22 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 0.0 110.387 172.501 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 149.93 31.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.121 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -171.15 151.72 3.24 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.86 -39.96 76.55 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.613 2.209 . . . . 0.0 111.034 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.4 -48.38 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.161 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -41.46 96.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.888 -176.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -69.72 -36.3 75.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.489 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 63.0 tt0 -65.27 -47.21 77.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.41 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.9 -22.92 65.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.267 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 mt -87.83 -5.71 58.48 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.87 -46.16 25.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.428 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 96.5 mmm -77.87 -34.32 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -26.99 64.51 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.189 0.519 . . . . 0.0 111.132 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.11 -45.15 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.54 . . . . 0.0 110.155 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.91 79.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.683 -178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.8 p -71.45 -45.56 62.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 12.3 p -67.04 -35.22 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.516 ' HA ' ' HE3' ' B' ' 77' ' ' MET . 29.5 mmt -64.95 -38.83 92.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 110.467 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.07 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.469 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.587 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 88.8 tt0 -58.12 -52.57 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' B' ' 41' ' ' MET . 8.7 mt -62.49 -39.02 82.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.141 0.496 . . . . 0.0 110.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.55 86.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.299 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.37 67.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.863 0.363 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.0 m -70.09 -64.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.525 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -120.99 -178.73 3.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.212 0.529 . . . . 0.0 111.537 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 6.0 pt-20 -158.66 150.12 20.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.102 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.428 ' O ' HG21 ' B' ' 34' ' ' THR . . . -128.36 72.57 0.47 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.644 -174.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.47 -32.2 7.79 Favored Glycine 0 CA--C 1.499 -0.94 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.432 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -100.22 156.51 19.55 Favored Glycine 0 N--CA 1.434 -1.448 0 CA-C-N 114.593 -0.804 . . . . 0.0 112.432 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -93.94 -170.25 2.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.3 tp -54.83 -38.59 67.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.604 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -67.14 -46.88 72.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.317 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -67.24 -46.08 74.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.518 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.82 -41.05 97.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.0 110.598 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 58.4 m -66.33 -44.11 84.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -62.15 -36.06 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.58 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -64.37 -49.7 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.22 -46.8 94.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.25 82.99 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -68.52 -39.83 81.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.98 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.162 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.2 mmt -64.62 -42.99 95.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.104 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 28.9 m -60.46 -34.41 73.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.2 t30 -62.22 -52.84 62.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.543 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -33.99 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.238 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.479 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.1 m-85 -67.08 -37.36 83.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.779 0.324 . . . . 0.0 111.29 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.62 -20.64 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.289 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 83.8 mm-40 -81.6 -34.65 30.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.079 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 7.5 p -93.71 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -93.34 -45.13 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.06 0.457 . . . . 0.0 111.381 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.28 4.25 25.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.479 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.9 p -142.2 149.22 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.18 133.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -88.84 105.53 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.109 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 55.3 mt-30 -54.79 -50.99 82.83 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 34.5 Cg_endo -64.55 -0.32 2.92 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.075 1.85 . . . . 0.0 113.373 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.484 ' O ' HG12 ' B' ' 120' ' ' ILE . 47.4 t80 -93.14 -52.96 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.2 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.863 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -74.3 -5.73 43.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.194 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.99 -28.8 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 110.423 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -63.52 -34.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.798 -178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -59.12 -34.99 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.05 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.911 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.75 -49.27 78.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.367 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.36 -35.42 66.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.054 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -77.82 -46.06 22.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.465 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.1 ptm -59.43 -46.64 88.16 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.31 -32.02 73.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.699 0.285 . . . . 0.0 110.85 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -35.51 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.671 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.8 mt-30 -78.13 -30.11 49.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.604 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.59 98.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.099 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 79.84 18.86 71.74 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.024 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -80.79 11.33 3.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.862 0.839 . . . . 0.0 110.308 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.42 ' H ' ' C ' ' B' ' 131' ' ' GLY . 0.3 OUTLIER -104.73 -26.89 12.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.705 176.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.27 -46.63 10.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.464 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.6 m 41.58 25.64 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.1 t 48.07 61.66 2.88 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.849 0.46 . . . . 0.0 111.188 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.798 -179.704 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -74.74 86.01 2.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.062 0.458 . . . . 0.0 110.859 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.82 15.21 0.91 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.887 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -111.35 94.79 5.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -89.58 129.51 36.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.307 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.587 ' O ' HG21 ' A' ' 7' ' ' THR . 30.3 m170 -70.38 -43.3 70.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.617 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.587 HG21 ' O ' ' A' ' 6' ' ' HIS . 1.2 t 53.55 10.75 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.807 1.243 . . . . 0.0 112.861 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.483 ' O ' HG22 ' A' ' 11' ' ' THR . 23.4 p -67.23 155.32 90.91 Favored Pre-proline 0 C--N 1.307 -1.256 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.925 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.0 -23.39 43.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.301 2.001 . . . . 0.0 112.306 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -103.61 18.78 21.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.022 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 8' ' ' THR . 10.6 t -82.69 -14.55 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.989 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -153.21 149.26 21.26 Favored Pre-proline 0 C--O 1.233 0.202 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.19 -36.82 97.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.814 2.342 . . . . 0.0 113.086 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -50.63 63.75 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.978 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -68.21 -35.5 78.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.311 -0.523 . . . . 0.0 110.924 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.01 -34.56 57.46 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.864 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -63.85 -27.61 69.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 111.114 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -59.87 -34.28 72.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.694 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mmt -75.35 -45.83 36.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 109.247 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 75.5 m-20 -61.74 -49.27 77.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -32.71 72.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.449 ' CE2' HD22 ' A' ' 27' ' ' LEU . 79.7 t80 -69.61 -50.02 48.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.648 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -61.22 -36.38 79.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.727 -176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.6 mt-30 -59.85 -46.37 89.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.927 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.26 -32.71 46.98 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 23' ' ' PHE . 38.7 tp -68.33 -31.18 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 110.77 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -72.27 2.07 6.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.193 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -114.85 11.69 16.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.463 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -98.37 141.99 23.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.081 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.94 -27.18 12.43 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.885 2.39 . . . . 0.0 113.159 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.26 -15.45 70.08 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.925 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -116.33 155.48 28.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.215 0.531 . . . . 0.0 111.008 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.8 p -111.84 153.94 25.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.913 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.56 39.07 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.252 0.345 . . . . 0.0 111.742 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 m -60.09 -42.26 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -69.07 -45.5 70.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.67 -40.33 68.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.21 -23.51 61.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.156 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -86.2 -43.51 12.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.2 ptm -73.28 -22.42 60.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.9 -28.99 69.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.514 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -58.3 -41.47 84.5 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.85 -36.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 0.0 110.192 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -50.54 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.001 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -14.4 60.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.61 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -82.0 -40.41 22.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.74 0.305 . . . . 0.0 110.424 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 83.7 mmm -62.6 -42.35 99.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.45 -38.22 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.41 -35.82 76.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.499 0.19 . . . . 0.0 110.919 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.25 -43.35 98.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 0.0 110.292 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.88 -49.22 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.379 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -56.52 -39.11 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -67.43 -46.76 72.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.84 -33.6 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.8 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.68 89.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.788 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.81 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.84 -10.86 46.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.089 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.34 28.6 65.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.269 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -107.32 13.26 27.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.019 0.438 . . . . 0.0 110.621 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -84.68 116.58 23.28 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 m -110.94 157.37 38.83 Favored Pre-proline 0 C--N 1.317 -0.848 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.469 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.57 -43.75 54.98 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -69.77 -36.94 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.298 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 3.4 tppt? -59.59 -50.3 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.479 0.657 . . . . 0.0 110.299 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.58 -32.43 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.893 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.09 -43.24 87.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.9 93.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.777 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.62 -10.34 59.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.409 HD21 ' HA ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -76.25 -51.38 12.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.651 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 26.0 mtp -82.77 -24.18 33.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.991 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.32 73.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 0.0 110.056 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.31 -47.18 77.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.387 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.23 83.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.292 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -73.61 -35.89 65.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.45 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 32.3 t -65.3 -39.07 92.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.437 0.637 . . . . 0.0 110.646 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.5 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 28.9 mmt -70.37 -27.01 64.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.903 0.382 . . . . 0.0 110.193 177.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.5 65.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 10.4 pt-20 -66.45 -40.16 89.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.252 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.66 -44.39 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.266 0.555 . . . . 0.0 110.108 175.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.07 -48.09 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.76 82.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -54.29 -68.28 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.802 0.689 . . . . 0.0 111.961 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.53 161.22 35.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.27 159.03 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.373 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.28 -34.77 0.4 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.569 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.53 -6.25 47.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.98 -153.1 6.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.005 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.8 t -126.86 -167.68 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.37 -37.0 71.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.707 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -66.31 -48.67 69.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.3 0.571 . . . . 0.0 110.321 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -44.32 91.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.631 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -63.87 -37.76 88.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.5 m -65.46 -49.77 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 m -61.92 -38.08 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.2 m -59.5 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 101' ' ' MET . 58.1 mt -66.29 -44.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.544 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.53 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.522 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -67.7 -35.03 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.742 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.85 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.343 . . . . 0.0 110.707 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.445 ' C ' ' H ' ' A' ' 103' ' ' ASN . 26.0 mmt -64.09 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -77.69 20.78 0.32 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.486 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.7 t30 -126.67 -43.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.39 78.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.156 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 63.9 m-85 -64.4 -32.41 74.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 111.331 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' HB ' ' A' ' 112' ' ' VAL . 3.1 mm? -78.3 -11.49 59.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.591 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.8 mm-40 -95.16 -34.25 12.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.385 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.06 -68.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.709 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 p -91.37 -43.54 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.057 0.456 . . . . 0.0 110.789 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.78 12.87 13.54 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.421 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -148.73 149.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 106' ' ' LEU . 2.6 p -126.46 142.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 -176.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.16 121.53 45.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.753 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.527 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -58.8 -53.56 65.17 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.501 -176.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' A' ' 114' ' ' GLN . 88.4 Cg_exo -45.55 -44.26 17.27 Favored 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.25 1.967 . . . . 0.0 113.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.37 -48.3 81.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.17 -37.71 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -71.58 -12.41 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.465 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.502 ' HA ' HE21 ' A' ' 122' ' ' GLN . 25.0 mm-40 -83.69 -41.75 17.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.25 -33.49 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.362 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.4 p -66.43 -21.57 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.528 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' A' ' 119' ' ' GLU . 41.1 mt-30 -81.82 -36.83 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.04 -59.28 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.425 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.69 -35.56 60.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.872 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -73.97 -44.91 53.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.401 -176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.8 ptm -70.85 -39.13 73.13 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.27 -21.33 66.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.569 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.673 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.89 -19.48 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.413 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.01 83.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.144 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.69 22.71 75.45 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.51 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -81.71 12.44 3.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.64 0.733 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -34.02 12.64 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.533 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.15 -42.59 14.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.049 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.0 m 37.7 37.62 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.544 1.152 . . . . 0.0 113.401 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.3 p 53.33 25.18 4.31 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.083 0.953 . . . . 0.0 112.591 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.368 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 67.16 6.01 4.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.044 0.538 . . . . 0.0 111.818 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.68 -22.8 11.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.281 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -64.18 107.26 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.444 0.64 . . . . 0.0 110.894 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -109.88 154.35 23.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.54 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.474 ' O ' HG21 ' B' ' 7' ' ' THR . 89.7 m-70 -68.58 -34.53 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.474 HG21 ' O ' ' B' ' 6' ' ' HIS . 2.3 t 50.93 17.35 0.42 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.075 1.35 . . . . 0.0 114.113 171.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.457 ' O ' HG23 ' B' ' 11' ' ' THR . 4.9 p -116.35 158.22 43.55 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.361 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.86 -26.18 44.8 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.475 2.117 . . . . 0.0 112.148 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -93.94 23.23 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.457 HG23 ' O ' ' B' ' 8' ' ' THR . 9.4 t -72.6 -24.73 61.12 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.776 177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -148.84 151.79 35.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.94 -36.66 84.41 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.933 2.422 . . . . 0.0 113.186 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.05 -50.45 67.58 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.063 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.29 -32.8 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.513 -0.404 . . . . 0.0 110.72 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -78.34 -31.88 48.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 110.627 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -33.8 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 175.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -55.52 -46.06 77.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.5 mmt -61.4 -50.04 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.576 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -63.15 -28.19 69.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.411 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -75.23 -53.8 8.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.5 mmm -61.2 -39.07 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.56 -33.88 76.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.66 -37.31 23.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.968 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' B' ' 33' ' ' PHE . 31.3 tp -65.85 -29.29 69.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -67.83 -10.49 53.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.247 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m -104.15 13.5 32.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.57 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.65 138.54 19.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.852 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.54 -18.89 28.92 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.058 2.505 . . . . 0.0 113.43 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.66 -24.17 75.39 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.296 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.467 ' CE1' HD12 ' B' ' 27' ' ' LEU . 66.5 m-85 -113.44 160.72 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -128.39 172.41 11.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.9 72.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.988 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.6 m -64.04 -39.68 94.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -82.07 -43.79 17.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -30.99 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.932 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.96 -37.69 74.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.645 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -86.86 -38.36 16.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.831 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -77.02 -25.97 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -60.35 -35.89 76.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.023 0.439 . . . . 0.0 110.285 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 4.4 m -58.84 -45.83 89.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.749 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -67.12 -37.69 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.62 76.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -7.98 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.421 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.3 m -83.21 -43.27 16.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.439 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 86.0 mmm -60.7 -39.47 88.63 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.96 -37.12 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.65 -31.3 66.69 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.654 0.264 . . . . 0.0 110.932 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -63.89 -44.84 91.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.65 -46.5 96.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.47 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.44 -38.89 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.352 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -66.04 -41.67 90.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.668 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.74 -35.67 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.06 97.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.59 -14.0 61.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.348 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.47 -0.33 26.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.39 28.95 70.51 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.617 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.64 20.68 18.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.252 0.548 . . . . 0.0 110.163 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.7 p -101.09 116.54 33.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.571 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -116.94 158.9 42.85 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.006 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.2 -44.88 45.23 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -71.75 -35.66 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.101 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' B' ' 65' ' ' LYS . 9.3 tppt? -60.36 -48.03 83.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.63 -40.95 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.86 -44.46 86.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.876 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.514 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -69.61 -8.65 49.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.76 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.0 mt -104.61 -0.96 27.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.922 0.392 . . . . 0.0 110.642 173.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.98 8.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.445 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 12.4 mtp -78.51 -28.63 46.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.215 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.39 -42.23 66.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.193 0.52 . . . . 0.0 110.478 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -69.5 -50.66 43.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.387 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -36.42 72.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.47 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -73.62 -40.12 64.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' B' ' 79' ' ' GLU . 21.5 t -64.5 -36.25 83.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.259 0.552 . . . . 0.0 110.585 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -70.0 -22.17 63.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.872 0.368 . . . . 0.0 110.409 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.04 -47.39 18.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.768 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.651 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 0.0 OUTLIER -61.96 -46.7 88.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 76' ' ' SER . 22.5 mt -55.05 -45.59 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -48.07 62.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.287 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.04 69.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.512 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -68.05 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -138.93 132.08 29.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.502 ' HB3' ' HE3' ' B' ' 93' ' ' LYS . 1.5 pm0 -89.84 164.47 14.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.66 -35.56 22.07 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.089 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.61 -30.75 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.719 -0.553 . . . . 0.0 111.719 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.83 163.17 54.62 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.519 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -76.91 -175.24 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.0 111.258 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.92 -38.06 84.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.092 0.472 . . . . 0.0 110.122 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.9 m -67.68 -44.2 78.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.272 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -61.77 -47.52 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.496 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.502 ' HE3' ' HB3' ' B' ' 85' ' ' GLU . 9.1 ptpp? -62.32 -35.52 79.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 110.825 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -69.69 -48.77 58.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -62.14 -34.34 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -61.13 -48.95 79.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -68.64 -46.32 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.0 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.73 83.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t -65.49 -36.57 84.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.59 67.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.691 0.282 . . . . 0.0 111.075 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.403 ' C ' ' H ' ' B' ' 103' ' ' ASN . 25.0 mmt -61.77 -37.46 84.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.12 0.486 . . . . 0.0 109.995 175.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -77.06 16.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.969 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.459 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.6 t30 -121.38 -41.95 2.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.27 76.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.176 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.584 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 56.6 m-85 -63.99 -36.0 82.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.147 0.498 . . . . 0.0 111.475 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.411 HD13 ' N ' ' B' ' 106' ' ' LEU . 6.3 mp -73.63 -18.79 61.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.717 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.3 mm-40 -85.39 -34.78 21.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 p -86.28 -67.43 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.489 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -88.94 -43.37 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.454 . . . . 0.0 110.596 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.11 -2.39 20.9 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -139.79 149.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 138.26 43.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.035 0.445 . . . . 0.0 111.141 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -91.29 109.62 20.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.124 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.93 -52.77 69.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.74 -44.9 25.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.182 1.921 . . . . 0.0 112.504 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.549 ' O ' HG12 ' B' ' 120' ' ' ILE . 43.3 t80 -58.3 -53.3 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.87 -39.95 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.295 0.569 . . . . 0.0 110.667 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.94 -14.08 60.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.613 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.448 ' HA ' HE21 ' B' ' 122' ' ' GLN . 48.1 mm-40 -86.18 -33.88 20.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.549 HG12 ' O ' ' B' ' 116' ' ' PHE . 50.1 mm -63.42 -40.88 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 15.5 p -58.96 -37.44 76.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' B' ' 119' ' ' GLU . 47.6 mt-30 -70.7 -35.76 72.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.991 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.93 -49.68 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.5 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.29 -35.78 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.037 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -84.26 1.85 42.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.909 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 20.7 ptm -109.63 -42.67 4.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.905 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . 0.438 ' N ' ' HG3' ' B' ' 126' ' ' MET . 28.4 m-85 -65.36 -19.12 65.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 111.117 -177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.91 76.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.5 mp0 -84.47 -19.24 33.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.636 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.37 -56.42 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.301 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 70.5 20.07 76.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.087 174.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -84.4 21.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.769 0.795 . . . . 0.0 110.835 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' B' ' 131' ' ' GLY . 0.4 OUTLIER -105.98 -35.99 7.11 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.729 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -84.5 -58.72 2.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.639 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 25.1 m 42.21 21.73 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 124.851 1.344 . . . . 0.0 113.677 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m 32.91 54.08 0.39 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.722 1.209 . . . . 0.0 113.222 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.742 -179.126 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 55.59 81.7 0.11 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.502 0.667 . . . . 0.0 110.788 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.59 50.79 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.77 105.51 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.239 -0.48 . . . . 0.0 111.15 -173.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -72.71 104.25 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -141.31 152.99 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.78 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -106.16 144.97 32.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.169 0.509 . . . . 0.0 111.248 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 11' ' ' THR . 1.3 p -153.84 147.16 18.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.772 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.05 -23.77 33.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.281 1.987 . . . . 0.0 112.26 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -103.12 13.35 34.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 8' ' ' THR . 11.0 t -85.88 -3.28 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.628 0.728 . . . . 0.0 109.254 174.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.12 123.65 12.51 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.894 -174.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.97 -41.51 78.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.319 2.013 . . . . 0.0 111.278 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -37.18 94.06 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -78.33 -34.05 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.245 -0.562 . . . . 0.0 110.642 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.27 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.92 -37.84 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.292 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -67.44 -24.31 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -58.06 -46.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.098 0.475 . . . . 0.0 109.938 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.49 -41.74 75.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.317 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -59.7 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.878 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -72.46 -15.57 61.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.485 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 69.9 t80 -82.86 -54.28 5.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.272 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.2 mmm -61.48 -36.25 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -60.25 -28.32 67.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.941 0.4 . . . . 0.0 110.752 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.55 -33.72 5.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.209 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.4 tp -67.97 -34.92 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.759 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 6.8 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 111.321 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -117.85 5.93 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.259 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.8 mmt -92.66 142.27 25.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 -23.72 26.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.854 2.369 . . . . 0.0 112.835 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.23 -8.1 73.84 Favored Glycine 0 C--O 1.238 0.358 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -126.76 150.9 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.168 0.509 . . . . 0.0 111.349 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -117.07 170.9 8.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.809 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.28 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 0.0 111.038 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -61.55 -41.64 97.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -76.93 -40.74 46.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.979 0.419 . . . . 0.0 110.479 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.16 -34.04 76.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.004 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.01 -41.54 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 5.5 t0 -75.12 -44.76 45.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -175.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ptp -73.32 -26.62 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.684 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -63.07 -31.51 72.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -64.69 -46.44 82.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.132 0.492 . . . . 0.0 109.983 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 80' ' ' ILE . 71.8 mt -64.22 -42.3 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.092 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.95 -57.98 5.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.45 -36.61 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.381 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.5 m -64.19 -36.82 85.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 81.7 mmm -75.05 -41.25 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.4 t -57.21 -52.21 59.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.336 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.97 -28.16 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.35 -43.33 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 70.9 mm-40 -58.33 -43.45 88.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.528 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 m -65.93 -33.2 75.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.1 -37.35 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.54 71.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.07 -32.37 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.283 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -85.68 -26.45 25.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.02 51.91 2.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.709 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 31.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 111.254 175.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -84.97 117.5 23.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.388 . . . . 0.0 110.673 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -124.08 152.46 67.04 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.392 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -52.94 -46.89 30.66 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.105 2.536 . . . . 0.0 112.41 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -69.07 -40.8 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.347 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -64.43 -35.39 80.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.216 0.532 . . . . 0.0 110.274 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.19 -39.13 63.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.44 -44.9 89.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.686 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.38 75.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.976 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.9 -34.62 74.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -58.23 -47.44 83.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.879 0.371 . . . . 0.0 110.292 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -42.33 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.832 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.435 ' HB1' ' HE3' ' A' ' 48' ' ' MET . . . -53.27 -45.05 68.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.379 . . . . 0.0 110.781 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.429 ' O ' ' HG2' ' A' ' 77' ' ' MET . 76.3 t80 -65.88 -50.4 64.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.661 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.51 75.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -71.16 -38.18 72.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.808 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 80' ' ' ILE . 32.3 t -65.64 -41.89 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.21 0.529 . . . . 0.0 110.075 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.438 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.5 mmt -61.15 -27.36 68.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.91 0.386 . . . . 0.0 110.395 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -48.21 23.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -69.52 -33.78 73.31 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 76' ' ' SER . 27.3 mt -59.52 -42.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 173.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.57 -48.42 19.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.909 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.21 73.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.564 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.648 ' HB3' ' OD1' ' A' ' 133' ' ' ASN . 42.0 m -78.6 -61.29 2.06 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -122.55 132.38 54.28 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.29 174.53 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.7 -65.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.102 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.13 3.1 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.46 117.67 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 p -66.1 164.15 16.07 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.526 0.33 . . . . 0.0 111.622 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 3.2 tm? -53.23 -51.77 61.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.392 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -63.15 -41.18 99.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.7 m -63.02 -50.75 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.2 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -173.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 m -67.47 -45.16 76.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.13 0.49 . . . . 0.0 110.109 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -65.67 -34.65 78.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.154 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -59.29 -47.16 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.08 -50.93 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.0 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.483 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 t -66.29 -35.21 79.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.9 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.31 -32.18 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.288 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 mmt -60.33 -51.85 67.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.104 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 p -62.51 -30.83 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.767 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.2 t30 -64.0 -45.12 90.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.73 75.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.789 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 61.3 m-85 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.997 0.427 . . . . 0.0 111.247 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.23 -24.09 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.4 mm-40 -84.47 -24.89 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -94.25 -77.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.878 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.9 t -88.14 -35.67 17.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.191 -177.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.09 19.34 12.85 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.378 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.602 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.2 p -148.27 147.81 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.28 124.62 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.64 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 116' ' ' PHE . 62.0 t30 -75.73 98.85 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 52.8 tt0 -58.94 -52.92 71.38 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.764 -170.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 14.7 Cg_endo -57.28 -26.55 70.83 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.108 1.872 . . . . 0.0 112.516 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' ILE . 66.0 t80 -66.27 -49.19 67.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.383 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.55 -33.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.207 0.527 . . . . 0.0 110.304 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.669 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -85.03 -35.08 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.797 0.332 . . . . 0.0 110.361 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.0 mm -61.37 -38.21 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.7 p -64.28 -37.74 88.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.34 -34.99 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.99 -49.43 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.5 t -65.69 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.21 0.528 . . . . 0.0 110.275 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.3 t -76.45 -16.99 59.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.862 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -96.86 -43.53 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.231 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -65.93 -16.93 64.31 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.608 0.242 . . . . 0.0 111.329 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.19 77.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.233 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -83.85 -16.84 43.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.729 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -69.61 0.35 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 53.52 53.07 37.43 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 116.013 -0.54 . . . . 0.0 113.198 177.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 21.42 1.42 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.877 0.846 . . . . 0.0 110.719 -175.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.648 ' OD1' ' HB3' ' A' ' 83' ' ' SER . 0.7 OUTLIER -87.62 -40.49 14.16 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.66 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.47 -37.34 13.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.845 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 17.9 m 40.47 41.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 124.44 1.088 . . . . 0.0 113.179 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m 63.17 20.81 12.5 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.408 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -178.643 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.243 -0.343 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -147.2 168.81 20.73 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.42 7.46 26.23 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.848 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -97.26 17.62 16.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.527 . . . . 0.0 110.758 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p -62.17 118.51 7.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.882 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -124.75 157.86 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -105.03 171.5 7.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.287 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.0 p -148.43 160.47 36.47 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.093 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.452 ' O ' ' HB3' ' B' ' 15' ' ' LEU . 27.4 Cg_exo -63.59 -8.32 14.9 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.706 2.271 . . . . 0.0 112.463 176.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -125.24 24.44 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.372 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -62.64 -24.57 67.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -174.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.437 ' HB2' HD22 ' B' ' 15' ' ' LEU . 48.1 m-80 -132.88 153.93 81.21 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.32 -28.22 33.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.97 2.446 . . . . 0.0 112.895 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.52 47.87 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' B' ' 9' ' ' PRO . 3.7 mm? -76.06 -34.13 59.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.176 0.512 . . . . 0.0 109.745 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.82 85.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.842 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.05 -33.68 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.59 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -62.3 -35.94 80.58 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.838 0.351 . . . . 0.0 110.644 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.71 -43.06 98.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.331 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.0 mtt -71.68 -44.19 64.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.492 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -57.53 -50.43 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.862 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -64.57 -20.74 66.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.17 -52.5 6.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.014 0.435 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mmm -67.46 -28.87 68.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -71.99 -20.6 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 0.0 111.096 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.58 -28.66 6.23 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.413 HD11 ' CE1' ' B' ' 33' ' ' PHE . 35.7 tp -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 110.759 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.0 p -61.11 -20.59 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 66.2 m -114.4 16.7 17.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.822 0.344 . . . . 0.0 111.536 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.1 mmt -81.39 138.77 48.13 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.535 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.04 -17.46 40.82 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 122.953 2.436 . . . . 0.0 113.323 -174.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -13.44 75.92 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.455 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.413 ' CE1' HD11 ' B' ' 27' ' ' LEU . 31.8 m-85 -118.02 163.88 15.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.598 -176.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 64.0 p -122.97 151.05 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.572 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.65 -36.4 71.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.646 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -66.12 -26.34 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.658 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' B' ' 84' ' ' GLU . 94.7 mt-30 -88.23 -30.57 19.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.638 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.4 ' HA ' ' HG2' ' B' ' 41' ' ' MET . 6.2 mp -68.84 -18.31 64.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.823 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -29.53 67.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.929 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -86.04 -38.8 17.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 38' ' ' LEU . 11.7 ptm -84.41 -26.43 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.548 -174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -65.02 -31.88 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 110.527 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -60.68 -41.01 94.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.007 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.436 HD12 HD11 ' B' ' 80' ' ' ILE . 55.7 mt -68.92 -39.09 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.008 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.418 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -51.79 -56.78 11.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.094 0.473 . . . . 0.0 110.171 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.47 -40.14 90.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.641 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -63.31 -37.96 89.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.009 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' B' ' 72' ' ' ALA . 71.0 mmm -72.33 -40.96 67.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.2 t -55.32 -55.08 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.948 175.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -66.69 -33.05 74.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -61.15 -45.9 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 0.0 109.924 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.72 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.976 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 77.3 mm-40 -58.08 -38.8 77.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.137 0.494 . . . . 0.0 110.163 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -66.44 -37.52 85.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.9 -33.55 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.63 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . 0.407 ' HA ' ' OG1' ' B' ' 61' ' ' THR . . . -69.5 -43.86 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.58 76.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.267 0.556 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.69 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.817 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.93 51.17 1.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.954 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 60' ' ' ARG . 0.0 OUTLIER -133.09 25.05 4.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.091 0.472 . . . . 0.0 110.373 174.692 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -92.04 123.06 35.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.218 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.9 m -140.7 154.93 69.49 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.181 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.78 -33.59 71.32 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 112.708 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.81 -53.75 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.529 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.424 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 21.2 mtpp -66.69 -31.22 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.049 -178.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.83 -29.64 64.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.301 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.4 HE22 ' HA ' ' A' ' 133' ' ' ASN . 8.4 tt0 -67.15 -42.83 83.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.102 175.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.71 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.63 -20.27 54.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.283 0.563 . . . . 0.0 109.739 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.29 -50.56 59.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.0 mmm -68.0 -37.12 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.883 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.406 ' HB2' ' HE2' ' B' ' 48' ' ' MET . . . -54.74 -45.81 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.809 0.338 . . . . 0.0 110.495 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.72 -50.73 61.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.23 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.407 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -75.07 -36.87 61.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.455 ' O ' HG13 ' B' ' 80' ' ' ILE . 19.2 t -63.27 -44.97 93.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.105 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.3 mmt -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.363 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.07 -52.03 10.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.013 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.73 -38.87 92.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 76' ' ' SER . 19.8 mt -59.35 -45.92 92.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.459 0.647 . . . . 0.0 109.941 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.82 78.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.533 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.74 74.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.403 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -73.23 -66.2 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.086 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' B' ' 37' ' ' GLN . 8.2 tp10 -91.49 124.21 35.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.993 0.425 . . . . 0.0 111.401 -172.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -83.69 151.48 25.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.43 -135.67 5.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.579 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.47 12.1 59.82 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.394 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.97 19.43 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.696 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.404 ' HB2' ' OG1' ' B' ' 92' ' ' THR . 19.0 m -62.96 158.22 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.808 0.337 . . . . 0.0 111.09 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 2.1 tm? -54.88 -51.15 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.007 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.36 -36.33 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' B' ' 89' ' ' SER . 10.1 m -62.73 -48.65 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.298 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 90' ' ' LEU . 2.0 ptmm? -73.06 -13.57 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.944 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -77.78 -48.73 15.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 109.845 173.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -64.39 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.805 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -55.54 -47.03 76.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.07 -43.74 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.09 75.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.589 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 7.2 t -67.85 -40.18 83.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.427 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -66.52 -37.53 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.158 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.07 -48.45 76.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.455 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.1 m -57.39 -40.24 77.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.917 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 18.6 t30 -56.72 -55.61 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.968 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.93 -38.35 56.1 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.8 m-85 -67.03 -34.22 77.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.091 0.472 . . . . 0.0 111.213 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -74.97 -23.19 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.871 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 76.4 mm-40 -84.38 -28.24 27.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -86.75 -66.25 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 111.645 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.8 t -106.01 -35.99 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.241 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.64 4.33 23.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.223 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.6 p -139.13 150.78 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -107.71 137.3 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.765 0.317 . . . . 0.0 110.743 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -80.69 116.38 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.403 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 47.7 tt0 -57.34 -56.84 29.69 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.321 -174.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 20.5 Cg_endo -60.2 -33.33 94.94 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.81 1.673 . . . . 0.0 112.269 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 120' ' ' ILE . 21.5 t80 -57.66 -55.93 28.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 42.4 mm -60.27 -38.4 77.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.937 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.6 -45.24 87.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 44.1 mm-40 -59.06 -41.56 88.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.526 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.59 HG12 ' O ' ' B' ' 116' ' ' PHE . 38.1 mm -60.89 -46.42 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 67.6 p -63.52 -36.21 83.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.747 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.46 -31.72 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.672 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' B' ' 119' ' ' GLU . 96.4 mt -61.36 -50.37 73.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 110.384 175.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.37 -35.63 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.284 0.564 . . . . 0.0 110.15 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -76.13 -9.09 58.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.104 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 25.8 ptm -105.77 -45.34 4.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.036 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -63.97 -25.85 68.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.97 77.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.913 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.71 -19.17 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.534 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.79 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 69.01 25.37 75.45 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.163 174.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -79.47 10.3 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.724 0.773 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.443 HD21 ' N ' ' B' ' 134' ' ' ASP . 0.5 OUTLIER -97.19 -29.32 13.65 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.63 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.443 ' N ' HD21 ' B' ' 133' ' ' ASN . 14.2 t70 -92.01 -44.47 8.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.831 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.8 m 40.59 38.97 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.387 1.054 . . . . 0.0 112.842 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.5 p 46.4 61.9 2.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.269 -173.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.315 -178.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -64.09 -46.99 81.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.806 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.9 98.24 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -82.73 -26.45 31.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.929 0.395 . . . . 0.0 111.014 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -87.98 97.4 10.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -115.13 -42.89 3.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 t -139.0 148.02 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.102 0.477 . . . . 0.0 111.136 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.568 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.9 p -154.25 158.51 32.39 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.904 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 30.5 Cg_endo -64.93 -7.48 15.28 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.359 2.039 . . . . 0.0 112.685 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.451 ' CE3' ' HG2' ' A' ' 9' ' ' PRO . 13.3 p90 -127.64 16.19 6.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.558 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.568 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 15.0 t -75.06 -16.98 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -150.8 150.83 29.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 50.5 Cg_exo -54.0 -37.34 86.17 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.954 2.436 . . . . 0.0 112.483 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.92 47.28 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.809 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.083 0.441 . . . . 0.0 110.728 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.31 98.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.212 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 12.3 pt-20 -79.48 -37.31 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.005 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -66.33 -29.7 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.35 -0.219 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -54.1 -44.49 71.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.191 0.52 . . . . 0.0 110.281 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.7 mtt -70.11 -43.34 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.591 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.612 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 39.3 m-80 -61.25 -52.37 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.919 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -65.92 -24.96 66.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.352 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE2' HD23 ' A' ' 27' ' ' LEU . 67.6 t80 -63.37 -51.37 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.487 176.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.5 mmm -66.25 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.104 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 24.8 mt-30 -62.47 -29.3 70.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.65 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.91 -34.23 6.04 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.478 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD23 ' CE2' ' A' ' 23' ' ' PHE . 39.7 tp -71.96 -27.6 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 111.015 -176.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -63.53 -19.87 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -107.35 18.88 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.9 mmt -103.48 148.01 35.08 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.363 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.13 165.78 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.498 2.132 . . . . 0.0 111.414 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.92 -49.67 1.4 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.9 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.15 130.63 38.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.769 0.318 . . . . 0.0 110.588 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.5 p -91.15 173.45 7.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.296 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.32 67.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 p -93.55 -30.11 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.895 0.855 . . . . 0.0 109.302 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' OE1' HG22 ' A' ' 80' ' ' ILE . 5.5 tp-100 -69.0 -48.87 62.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.258 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.37 -36.78 78.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.145 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -80.19 -42.19 23.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.075 0.464 . . . . 0.0 110.093 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.7 ptm -76.34 -23.36 54.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.784 -176.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -62.02 -24.05 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.637 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' B' ' 65' ' ' LYS . 7.1 m -66.0 -40.86 91.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.132 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.545 ' HA ' ' OG ' ' A' ' 47' ' ' SER . 19.9 mt -65.09 -33.19 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -58.47 -41.05 84.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.797 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.514 HE22 HD23 ' B' ' 55' ' ' LEU . 1.1 pp0? -90.04 -12.1 39.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.303 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.545 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 24.4 p -89.12 -33.84 16.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.3 mmm -70.79 -37.88 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.577 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 45' ' ' ALA . 26.8 m -66.94 -32.68 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.532 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -68.17 -38.56 82.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.572 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m -58.18 -45.47 87.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.01 0.433 . . . . 0.0 110.105 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.86 -49.15 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.865 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.41 -39.15 86.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.83 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -61.23 -39.32 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.198 0.523 . . . . 0.0 110.201 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 67.5 mt -77.52 -35.16 53.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.064 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.18 95.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 0.0 110.69 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -26.84 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -98.61 4.36 48.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.376 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.95 84.27 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.556 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 18.7 mmm180 -100.02 -4.04 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.049 0.452 . . . . 0.0 110.11 -177.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 144.6 38.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.261 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.9 m -152.96 150.46 24.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.954 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.69 -43.43 51.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.017 2.478 . . . . 0.0 112.681 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -66.04 -48.25 71.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HZ2' ' CG ' ' B' ' 40' ' ' ASP . 22.3 ttmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.128 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.41 -39.27 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.603 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.8 tt0 -58.04 -43.36 86.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.645 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.99 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.657 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.3 mt -105.56 -2.83 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.324 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -53.35 8.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.151 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' A' ' 71' ' ' MET . 27.7 mtp -79.67 -24.15 42.0 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.887 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.41 63.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -77.98 -41.19 36.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.442 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.26 84.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 m -78.45 -34.15 47.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.421 ' HB3' ' HB3' ' B' ' 72' ' ' ALA . 3.5 p -70.92 -31.4 68.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.727 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.521 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 27.7 mmt -64.49 -35.72 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.17 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.26 -37.33 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.312 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 76.6 tt0 -59.61 -33.27 71.27 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.061 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' OE1' ' A' ' 37' ' ' GLN . 14.2 mt -84.35 -44.34 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.37 90.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.949 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.11 61.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.64 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -81.44 -56.81 3.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 111.275 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -130.22 169.16 15.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.545 0.688 . . . . 0.0 112.363 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 11.0 pt-20 -161.29 -171.18 2.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.593 177.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 -33.68 0.25 Allowed Glycine 0 C--O 1.227 -0.292 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.9 14.42 57.37 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.62 179.09 41.75 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -103.62 -172.6 2.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.228 0.514 . . . . 0.0 110.845 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 59.2 tp -59.32 -38.84 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.044 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -71.55 -36.14 70.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.137 0.494 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -65.75 -50.81 63.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.153 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 85' ' ' GLU . 18.2 ptpt -61.41 -36.9 81.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -67.04 -42.89 84.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 t -63.01 -38.99 93.4 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.036 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.2 m -64.6 -47.64 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.305 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.44 -45.76 89.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.699 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.98 82.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 t -72.86 -25.05 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.294 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.86 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.501 ' SD ' HG13 ' A' ' 120' ' ' ILE . 39.0 mtt -69.79 -44.18 70.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 p -58.89 -38.44 78.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.438 0.637 . . . . 0.0 110.162 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.61 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.1 t30 -62.41 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.036 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.9 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.324 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.578 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 49.0 m-85 -62.69 -38.06 88.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 0.0 110.998 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.74 -24.84 59.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 80.1 mm-40 -76.87 -37.83 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 p -81.75 -78.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.154 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -94.18 -25.36 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.215 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.06 16.43 21.22 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.137 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -154.2 146.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -118.51 137.05 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.032 0.444 . . . . 0.0 111.234 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -88.26 120.45 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.942 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.487 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 35.5 tt0 -64.87 -51.21 58.6 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -174.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.1 Cg_exo -50.07 -41.69 48.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.006 1.804 . . . . 0.0 112.649 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.538 ' O ' HG12 ' A' ' 120' ' ' ILE . 23.6 t80 -53.39 -53.16 55.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.789 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.62 -31.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.871 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -68.41 -47.27 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 0.0 111.362 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.7 mm -60.54 -39.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.554 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.3 p -63.91 -34.37 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.284 0.564 . . . . 0.0 110.477 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -70.94 -38.44 72.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.32 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.24 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.92 -41.77 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.819 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -68.86 -49.91 54.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.132 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -63.88 -40.7 97.15 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -63.41 -35.37 80.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.675 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.19 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.725 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.472 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.6 mt-30 -74.49 -27.42 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.091 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.25 97.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.02 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.13 11.25 70.06 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.142 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -75.98 -3.71 37.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.681 0.753 . . . . 0.0 110.944 -177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.629 HD21 ' N ' ' A' ' 134' ' ' ASP . 0.3 OUTLIER -105.38 -27.29 11.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.583 177.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.629 ' N ' HD21 ' A' ' 133' ' ' ASN . 12.9 t70 -87.68 -35.75 17.81 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.338 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.1 m 40.57 39.18 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.326 1.016 . . . . 0.0 112.924 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 p 51.84 27.27 4.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 112.649 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.885 -179.279 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -103.46 1.13 32.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.167 0.508 . . . . 0.0 110.598 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.21 131.23 2.04 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.74 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -93.53 -36.38 12.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -83.85 77.49 9.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.149 0.5 . . . . 0.0 110.45 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -127.78 -79.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.581 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -88.31 142.95 27.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.327 0.584 . . . . 0.0 110.695 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.498 ' O ' HG23 ' B' ' 11' ' ' THR . 1.7 p -152.12 158.32 33.77 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.662 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.46 -14.18 43.6 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.295 1.997 . . . . 0.0 112.091 176.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 31.9 p90 -120.29 19.02 12.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 8' ' ' THR . 10.3 t -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.698 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.434 ' ND2' HG22 ' B' ' 11' ' ' THR . 11.1 p30 -149.17 152.75 36.76 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.0 -31.31 92.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.85 2.367 . . . . 0.0 112.75 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -44.86 95.44 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.473 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.52 -33.69 62.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.5 -0.412 . . . . 0.0 110.639 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.91 94.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.29 -32.64 62.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.623 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.59 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -58.04 -44.12 87.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtt -76.19 -43.72 41.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.057 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 32.6 m-80 -63.21 -48.84 76.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.4 m -61.98 -29.58 70.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 111.102 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' B' ' 27' ' ' LEU . 81.5 t80 -64.32 -52.24 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -65.19 -34.8 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.373 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 54.7 mt-30 -61.4 -33.52 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.172 0.51 . . . . 0.0 110.977 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.4 -27.26 20.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.401 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' B' ' 23' ' ' PHE . 32.9 tp -75.61 -26.61 57.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.8 p -63.38 -23.29 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.29 0.567 . . . . 0.0 110.655 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -102.69 24.37 10.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 21.9 mmt -114.26 138.89 23.2 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.803 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.66 133.54 11.63 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.425 2.083 . . . . 0.0 110.487 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.52 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 141.64 -32.99 2.0 Favored Glycine 0 N--CA 1.439 -1.124 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.548 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -107.42 149.3 28.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.939 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.446 ' OG1' ' HB2' ' B' ' 37' ' ' GLN . 81.9 p -87.4 169.66 12.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.271 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -11.05 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.954 0.407 . . . . 0.0 111.197 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -97.45 -37.1 10.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.719 0.771 . . . . 0.0 109.036 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.446 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 0.4 OUTLIER -62.62 -51.64 66.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.571 -179.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -38.24 82.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.01 -44.19 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.192 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.421 ' CG ' ' HZ2' ' A' ' 65' ' ' LYS . 7.6 t0 -71.87 -45.93 59.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.52 -176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 14.1 ptm -68.74 -27.42 65.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -33.94 71.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.566 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.5 m -66.58 -41.44 88.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.461 HD11 HD12 ' B' ' 80' ' ' ILE . 36.9 mt -70.53 -34.59 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.999 0.428 . . . . 0.0 110.434 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.1 91.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -12.25 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 48.2 p -87.21 -34.49 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.345 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.8 mmm -63.43 -43.82 96.36 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.274 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.38 -38.54 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.825 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -70.33 -34.94 73.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.816 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -61.81 -45.58 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.54 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.64 -34.82 76.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -66.92 -45.9 76.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.212 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.514 HD23 HE22 ' A' ' 46' ' ' GLN . 70.6 mt -63.18 -38.79 92.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.1 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.36 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.514 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.81 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.498 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 38.05 56.22 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.195 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -104.23 -7.67 19.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.14 140.5 50.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.221 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 m -153.35 161.08 30.04 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.06 -47.81 22.25 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.749 2.299 . . . . 0.0 112.406 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.188 0.518 . . . . 0.0 110.132 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.471 ' HD2' ' HB ' ' A' ' 43' ' ' THR . 2.0 tppt? -59.07 -43.96 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.097 -175.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.08 -36.53 66.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.934 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.98 -45.7 80.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 4.33 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.403 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.21 9.47 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -59.06 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.405 176.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.44 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 22.6 mtp -78.2 -19.02 54.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' SER . . . -55.23 -38.86 69.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.19 0.519 . . . . 0.0 109.949 170.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' B' ' 77' ' ' MET . 84.0 t80 -76.85 -42.67 39.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.251 176.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -38.92 86.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.751 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.4 m -77.64 -38.39 48.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.526 ' O ' HG13 ' B' ' 80' ' ' ILE . 7.9 p -66.47 -33.55 75.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.2 0.524 . . . . 0.0 110.905 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.502 ' HA ' ' HE3' ' B' ' 77' ' ' MET . 28.9 mmt -71.24 -25.5 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.83 -43.93 34.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.469 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -65.89 -28.06 68.67 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.992 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 76' ' ' SER . 18.1 mt -73.82 -47.78 42.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 121.166 0.508 . . . . 0.0 110.251 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.04 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.034 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.14 -14.62 62.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.022 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t -72.59 -62.72 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.581 0.229 . . . . 0.0 111.252 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -120.23 153.35 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.348 0.594 . . . . 0.0 111.764 -175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.08 -165.29 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.09 -58.37 0.56 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.763 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.1 26.52 15.04 Favored Glycine 0 CA--C 1.503 -0.661 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.52 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.72 135.23 2.78 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.083 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 t -83.11 169.47 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.74 -42.93 94.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.895 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.6 t -69.12 -37.7 78.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.878 0.371 . . . . 0.0 110.16 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -54.96 39.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.965 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.486 ' O ' HG13 ' B' ' 97' ' ' ILE . 18.1 ptpt -63.22 -36.69 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.163 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 82.7 m -64.59 -45.82 85.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.993 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -62.99 -40.14 96.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.017 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 68.0 m -63.89 -45.59 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.485 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 93' ' ' LYS . 39.1 mt -57.36 -49.89 78.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.608 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.22 77.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.65 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -60.48 -45.4 93.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.59 84.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.958 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 45.6 mtt -66.4 -45.49 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.349 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.1 p -61.21 -29.56 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.256 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -70.66 -41.99 71.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.35 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.868 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.537 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 38.7 m-85 -63.09 -38.74 92.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.189 0.518 . . . . 0.0 111.208 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.73 -24.03 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.768 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.8 mm-40 -79.72 -34.57 39.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.4 p -83.0 -71.47 0.49 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.366 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.2 t -101.38 -21.03 14.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.408 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.98 5.99 49.54 Favored Glycine 0 CA--C 1.506 -0.477 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.72 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.537 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 14.5 p -141.71 150.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.85 128.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 0.0 111.368 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -73.8 101.53 3.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.969 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.9 tt0 -56.94 -47.01 99.8 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.271 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.482 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 57.7 Cg_exo -54.46 -43.55 57.8 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.862 1.708 . . . . 0.0 112.114 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.464 ' O ' HG12 ' B' ' 120' ' ' ILE . 25.1 t80 -55.11 -53.39 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.627 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.92 -36.96 76.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.115 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -67.44 -38.14 84.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 40.2 mm-40 -64.21 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 110.96 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 116' ' ' PHE . 41.7 mm -62.07 -35.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 72.4 p -63.27 -26.21 68.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.041 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.16 -37.72 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.553 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' B' ' 126' ' ' MET . 97.1 mt -57.64 -50.05 74.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.479 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.64 -31.97 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -83.17 -37.13 24.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.929 -176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.612 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 27.5 ptm -66.33 -46.61 76.26 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.337 -0.227 . . . . 0.0 111.266 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -62.44 -26.14 68.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.28 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.812 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.612 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.9 mt-30 -83.58 -27.66 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.77 -44.84 88.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.73 72.9 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.122 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -76.76 1.91 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.274 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -103.48 -26.79 12.72 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.35 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.6 ' N ' HD21 ' B' ' 133' ' ' ASN . 2.4 t70 -93.52 -51.17 5.08 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.824 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 33.6 m 41.18 27.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.725 1.21 . . . . 0.0 113.848 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.2 p 43.94 36.21 1.34 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.801 0.841 . . . . 0.0 112.519 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.747 -178.397 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.398 -0.281 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -128.66 150.4 50.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.469 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.24 70.26 1.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.467 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -86.25 82.94 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.598 0.237 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -62.11 109.01 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.149 0.5 . . . . 0.0 111.234 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -140.46 169.23 18.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.53 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -63.65 135.3 56.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.534 0.683 . . . . 0.0 110.593 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 11' ' ' THR . 1.8 p -157.48 166.85 15.71 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.465 -175.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.29 -15.72 50.03 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.237 1.958 . . . . 0.0 112.217 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -122.0 21.53 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.078 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 8' ' ' THR . 9.2 t -67.9 -20.65 65.12 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -157.75 157.15 29.54 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.6 Cg_exo -53.73 -32.16 64.42 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.132 2.555 . . . . 0.0 113.199 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.73 -0.89 35.2 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 113.411 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.03 -33.5 3.93 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.626 -0.337 . . . . 0.0 110.299 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.4 91.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.301 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -75.69 -36.66 59.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.858 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.34 -35.92 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.57 -57.66 10.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.022 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.491 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 21.1 ptp -73.1 -28.22 62.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.512 -173.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 21.0 m-80 -67.53 -43.61 80.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.771 0.32 . . . . 0.0 110.466 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -72.49 -23.77 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.38 -50.43 71.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.219 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.4 mmm -64.69 -30.08 71.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.176 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 84.6 mm-40 -59.97 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -22.86 52.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.499 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.452 HD11 ' CE1' ' A' ' 33' ' ' PHE . 48.6 tp -77.47 -25.74 50.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.965 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.3 p -73.48 -1.89 20.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -120.82 15.54 11.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 mmt -90.6 129.96 42.96 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.87 -26.64 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.192 2.595 . . . . 0.0 113.454 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.33 -7.75 85.16 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.768 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE1' HD11 ' A' ' 27' ' ' LEU . 14.2 m-85 -106.49 170.46 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.542 0.687 . . . . 0.0 112.488 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.436 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.3 p -116.79 154.4 30.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.919 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.18 66.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.349 . . . . 0.0 111.44 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -74.76 -50.35 17.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -66.27 -32.07 73.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.354 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.7 mt -61.77 -30.97 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.26 -47.26 71.23 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.261 0.553 . . . . 0.0 110.239 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.43 -50.75 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.254 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.522 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 11.3 ptm -71.37 -26.52 62.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.595 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -64.54 -32.18 73.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.283 0.563 . . . . 0.0 109.731 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.8 m -67.89 -39.32 83.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.486 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.95 -38.71 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.41 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.2 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.369 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 HE22 HD22 ' B' ' 55' ' ' LEU . 0.8 OUTLIER -80.74 -5.2 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 0.0 111.659 -178.245 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.3 m -86.6 -38.42 17.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.491 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 86.4 mmm -67.08 -40.26 86.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.0 -32.12 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.71 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.37 -37.8 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.2 m -67.85 -41.6 82.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.489 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.37 -48.35 88.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -60.07 -43.22 95.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.44 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 m -63.1 -44.97 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.835 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.94 -34.03 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.893 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.83 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.66 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.186 0.517 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -83.44 -14.48 52.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.115 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.64 30.18 60.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.313 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -107.22 10.39 29.94 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.026 0.441 . . . . 0.0 110.587 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -80.31 135.07 36.14 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.527 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -132.47 156.02 80.58 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.89 -27.28 52.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.748 2.299 . . . . 0.0 111.69 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.62 -60.9 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.432 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.86 -30.31 66.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.631 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.31 -34.23 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 110.004 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.552 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.6 tt0 -80.37 -42.41 22.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.47 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -58.18 -38.09 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.227 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.97 -0.91 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.96 -44.82 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 170.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' HE1' ' B' ' 132' ' ' MET . 94.7 mmm -73.27 -40.11 64.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.155 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB3' ' HE3' ' A' ' 48' ' ' MET . . . -55.27 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.715 175.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.518 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.6 t80 -78.64 -48.08 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.405 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.48 -33.43 69.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.976 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.2 p -78.05 -39.01 43.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.748 -175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 6.3 p -70.44 -29.26 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.522 ' SD ' ' HB2' ' A' ' 41' ' ' MET . 29.1 mmt -69.06 -37.71 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.7 98.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.164 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 76' ' ' SER . 20.6 tt0 -54.29 -62.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.724 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.13 -36.16 55.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.571 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.85 20.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.62 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.54 63.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.353 -175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -63.84 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.66 132.16 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 111.72 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.65 -22.64 12.43 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.332 -171.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.85 46.85 0.22 Allowed Glycine 0 C--N 1.298 -1.556 0 CA-C-N 113.348 -1.751 . . . . 0.0 115.289 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.99 -53.0 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.91 -170.66 22.14 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 43.2 t -65.26 160.74 20.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.09 -36.72 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.686 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.0 m -64.41 -53.5 47.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.94 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 89' ' ' SER . 14.8 ptmt -61.78 -37.4 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -68.33 -45.62 72.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.075 0.464 . . . . 0.0 110.917 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -70.14 -23.43 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.7 m -61.08 -43.92 98.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.9 mt -67.35 -45.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.177 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.97 -44.27 82.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.515 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.11 77.31 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.354 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 mmt -65.4 -44.83 86.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -59.44 -38.95 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.031 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.82 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.552 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.615 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 47.1 m-85 -66.4 -31.73 72.67 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.085 0.469 . . . . 0.0 111.128 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.58 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.4 mm-40 -94.03 -14.64 25.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.947 0.403 . . . . 0.0 110.857 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 p -107.81 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.889 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.1 t -95.94 -31.97 12.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.387 -177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.16 15.73 22.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.615 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.7 p -150.85 148.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.9 t -97.0 132.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.156 -175.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -83.83 100.97 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.427 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 47.4 tt0 -61.69 -47.22 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.427 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 81.9 Cg_exo -48.3 -47.33 20.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.012 1.808 . . . . 0.0 112.398 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.2 t80 -51.87 -48.6 63.98 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.322 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.03 -30.18 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -82.1 -14.11 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.476 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.53 -34.96 19.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.894 0.378 . . . . 0.0 110.663 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.1 mm -62.93 -36.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.117 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 p -62.11 -35.31 78.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.011 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -70.08 -37.65 75.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.6 -50.72 71.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.001 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -70.68 -25.21 62.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.738 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.1 ptm -90.34 -40.76 11.91 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.602 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.95 -17.87 64.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 111.551 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.07 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.679 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -78.16 -26.01 47.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.388 . . . . 0.0 110.868 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.883 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 60.72 47.21 92.35 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.3 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -78.0 8.75 4.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.59 0.71 . . . . 0.0 111.216 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.58 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER -96.82 -34.88 11.13 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.428 178.621 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.29 -46.46 17.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.107 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.9 m 37.91 36.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 124.543 1.152 . . . . 0.0 113.652 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.6 m 58.94 28.2 17.28 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.851 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.081 -179.522 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -158.8 -176.02 5.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.602 0.239 . . . . 0.0 110.446 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.0 62.1 1.07 Allowed Glycine 0 CA--C 1.504 -0.608 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.91 106.7 14.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.385 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -121.39 94.73 4.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.216 0.532 . . . . 0.0 111.004 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -123.57 168.87 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.443 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -63.36 137.07 58.04 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.624 0.726 . . . . 0.0 110.538 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.5 p -157.69 169.32 10.8 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.604 -173.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.89 -9.21 18.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.379 2.053 . . . . 0.0 112.453 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -129.45 22.51 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -70.06 -17.3 63.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.075 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -148.34 155.82 42.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.999 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.507 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 54.1 Cg_exo -55.43 -35.86 92.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.11 -52.85 44.19 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.341 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.41 -33.55 65.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.961 0.381 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.82 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 10.9 pt-20 -75.24 -38.85 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.298 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -56.39 -35.65 67.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.457 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -55.51 -56.84 15.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.01 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.443 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 19.8 ptp -73.3 -27.44 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 19.0 m-80 -65.83 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.517 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 m -72.24 -30.6 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.417 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 65.9 t80 -58.98 -49.73 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 78.3 mmm -61.5 -32.42 72.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.348 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 72.5 mm-40 -62.64 -43.61 98.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.19 -31.86 41.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.77 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' B' ' 33' ' ' PHE . 48.0 tp -76.19 -19.66 58.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.702 -0.293 . . . . 0.0 111.377 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -61.28 -13.22 17.24 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -138.78 37.11 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 111.364 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.14 138.62 27.3 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.497 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.91 -25.69 67.12 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.4 2.734 . . . . 0.0 113.447 -173.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.46 2.2 88.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' B' ' 27' ' ' LEU . 28.2 m-85 -122.5 169.66 10.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -131.44 161.45 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.303 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -36.41 75.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.5 t -58.51 -42.82 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.27 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -74.18 -46.71 40.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.478 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' B' ' 33' ' ' PHE . 4.4 mm? -58.91 -40.32 84.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.588 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.56 -37.34 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.751 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -92.76 -37.74 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.203 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 18.8 ptm -70.29 -22.98 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.2 t -64.32 -27.32 68.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.052 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 30.4 m -72.61 -32.05 65.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.846 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mt -66.8 -38.9 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.29 -57.43 6.83 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.277 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -74.29 -5.82 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 -176.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 71.1 m -87.26 -35.93 18.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.56 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.443 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 83.5 mmm -69.07 -35.75 76.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -64.94 -29.71 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.476 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -69.45 -38.36 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.444 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.3 m -59.13 -47.66 84.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.229 0.537 . . . . 0.0 109.955 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.38 -51.9 67.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.31 -38.99 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.1 m -64.6 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.425 HD22 HE22 ' A' ' 46' ' ' GLN . 85.8 mt -69.09 -36.16 77.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.71 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -42.34 82.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.4 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -96.1 -0.52 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.18 39.66 92.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.81 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -117.72 9.98 13.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -85.84 140.24 30.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.307 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 87.4 p -143.57 156.85 59.84 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.12 -30.08 69.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 111.874 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.63 -55.0 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.82 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -75.06 -21.58 58.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.42 -41.26 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.6 tt0 -63.5 -45.28 91.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.762 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.65 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.146 0.498 . . . . 0.0 111.278 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -9.11 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.566 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -77.58 -44.43 28.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.0 -38.7 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.358 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.409 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.71 -32.77 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.112 0.482 . . . . 0.0 111.256 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.405 ' N ' ' HE2' ' B' ' 48' ' ' MET . 72.6 t80 -76.42 -44.63 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.073 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.37 77.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -75.13 -37.64 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.186 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.582 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 3.8 t -69.5 -31.01 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.464 0.649 . . . . 0.0 110.445 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.5 mmt -76.01 -17.84 59.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.167 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.32 -38.02 31.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.95 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.7 pt-20 -67.53 -44.68 77.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.53 -38.06 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.306 0.574 . . . . 0.0 110.282 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.41 -53.32 19.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.971 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.08 -37.67 61.87 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -62.76 -73.71 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.573 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.67 131.51 35.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.515 ' HA ' ' HZ1' ' B' ' 93' ' ' LYS . 10.9 pt-20 -83.1 -31.39 27.3 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.086 0.946 . . . . 0.0 110.781 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.08 -119.35 15.65 Favored Glycine 0 C--N 1.296 -1.684 0 CA-C-N 113.459 -1.7 . . . . 0.0 112.479 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.02 18.22 19.13 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.491 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.37 163.85 21.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.574 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 17.1 t -81.35 172.66 13.31 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.47 -39.89 89.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -69.78 -35.25 74.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.102 0.477 . . . . 0.0 110.55 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -64.75 -53.14 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.098 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.515 ' HZ1' ' HA ' ' B' ' 85' ' ' GLU . 19.4 ptmt -63.96 -41.4 97.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.44 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 62.8 m -62.18 -45.51 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.611 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -70.15 -25.1 63.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.2 m -62.63 -44.03 97.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.612 0.244 . . . . 0.0 111.204 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.08 -46.18 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.2 71.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.116 0.484 . . . . 0.0 110.774 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 73.4 m -60.0 -55.14 37.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.291 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.751 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.11 -44.48 92.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 25.3 m -58.39 -39.58 80.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.941 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.4 t30 -65.86 -43.57 88.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.132 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.39 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.696 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.545 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.9 m-85 -68.41 -35.32 77.48 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.276 0.56 . . . . 0.0 110.949 177.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 102' ' ' SER . 96.5 mt -71.46 -24.93 62.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.721 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 72.4 mm-40 -83.62 -31.25 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.931 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.89 -71.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.677 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.6 t -98.42 -30.93 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.304 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.63 8.41 24.64 Favored Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.3 -0.953 . . . . 0.0 111.62 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.545 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.1 p -147.59 149.31 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' B' ' 105' ' ' PHE . 2.0 p -108.24 129.76 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.415 0.626 . . . . 0.0 111.918 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.458 ' O ' HG12 ' B' ' 117' ' ' ILE . 26.3 t-20 -79.1 122.15 25.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.222 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 97.9 mt-30 -70.39 -53.48 10.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -173.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 3.0 Cg_endo -45.32 -50.74 8.71 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.256 1.971 . . . . 0.0 112.707 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 38.0 t80 -50.13 -51.77 40.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.655 0.597 . . . . 0.0 111.159 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 113' ' ' ASN . 33.2 mm -63.34 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.15 -4.57 53.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.463 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -93.8 -31.81 14.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 110.62 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 116' ' ' PHE . 27.1 mm -64.65 -31.82 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 12.1 p -61.23 -29.06 69.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.328 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.01 -33.73 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.637 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.11 -55.14 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.354 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -30.05 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.0 0.429 . . . . 0.0 111.231 -176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 13.2 t -75.66 -37.45 59.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.48 -37.07 63.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -70.78 -15.79 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.37 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.499 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.82 -29.88 61.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.588 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.88 -66.83 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.593 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.94 43.06 99.7 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.829 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' MET . . . . . 0.418 ' HE1' ' SD ' ' A' ' 71' ' ' MET . 1.9 ppp? -72.87 0.53 10.83 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.552 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -102.94 -34.99 8.75 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.8 0.81 . . . . 0.0 109.775 -178.05 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.16 -48.98 7.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.88 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.0 m 38.1 35.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 124.663 1.227 . . . . 0.0 113.88 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 53.8 m 58.58 27.25 15.44 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.921 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.924 177.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -93.53 95.03 8.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.113 0.483 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.02 51.23 0.73 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -71.76 100.43 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.858 0.361 . . . . 0.0 110.385 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' HA ' ' C ' ' B' ' 137' ' ' ALA . 50.7 m -69.82 114.36 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.429 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.445 ' NE2' ' HB2' ' B' ' 137' ' ' ALA . 26.2 p80 -123.3 -173.95 2.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.75 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -97.83 175.21 6.24 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.784 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 11' ' ' THR . 21.4 p -131.66 160.1 68.96 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.334 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.8 0.53 6.28 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.382 2.054 . . . . 0.0 112.694 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -126.75 20.69 7.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.717 0.294 . . . . 0.0 111.397 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 8' ' ' THR . 7.2 t -70.28 -32.35 70.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.192 0.52 . . . . 0.0 110.671 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' ND2' HG21 ' A' ' 11' ' ' THR . 11.9 p30 -143.83 153.61 57.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.642 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 73.6 Cg_exo -52.78 -33.53 60.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.084 2.522 . . . . 0.0 112.773 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -48.25 87.12 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.804 -177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.45 -31.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.664 -0.315 . . . . 0.0 110.556 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -71.29 -36.62 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.706 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.95 -40.74 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -54.13 -45.05 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.718 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.34 -42.52 71.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.529 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -63.29 -41.37 98.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.985 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.512 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 43.5 m -75.51 -10.37 59.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.321 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -91.99 -51.54 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.284 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 41' ' ' MET . 86.9 mmm -59.36 -38.67 81.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 8.4 pt20 -60.34 -36.78 78.79 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.38 -42.15 12.29 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.05 -31.82 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.27 . . . . 0.0 111.051 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -72.4 -2.86 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.028 0.442 . . . . 0.0 110.666 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -116.54 12.95 15.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -100.62 155.53 36.25 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.698 -177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.14 161.27 35.59 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.367 2.045 . . . . 0.0 111.409 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.511 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 92.8 -41.84 2.7 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.254 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 79.1 m-85 -93.33 156.09 17.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -130.46 167.38 18.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.617 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.1 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -69.68 -43.92 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.652 0.263 . . . . 0.0 110.712 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -70.59 -36.9 73.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 111.009 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 3.1 mm? -60.56 -36.97 79.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.58 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.19 -42.12 94.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.56 -37.48 73.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 0.0 110.176 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.428 ' HG3' ' HE3' ' A' ' 24' ' ' MET . 13.8 ptm -83.93 -28.27 27.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.358 -176.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -67.1 -29.08 68.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -39.66 90.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 HD11 HD12 ' A' ' 80' ' ' ILE . 59.2 mt -72.11 -39.56 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.146 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.76 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -15.72 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.419 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -78.81 -39.44 35.62 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.8 mmm -60.99 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.642 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 m -61.83 -36.94 76.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.069 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.8 -29.33 55.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.871 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -66.5 -46.85 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.853 0.358 . . . . 0.0 110.109 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 66.3 mt -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -32.18 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.457 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -70.27 -33.46 71.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.586 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD23 ' HG3' ' A' ' 60' ' ' ARG . 95.7 mt -68.37 -34.45 76.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 109.98 175.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.72 76.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.804 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.24 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.617 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.54 -38.84 74.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.921 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.21 5.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' HG3' HD23 ' A' ' 55' ' ' LEU . 2.6 ptm180 -119.08 21.03 12.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.202 0.525 . . . . 0.0 110.626 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.0 128.47 33.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.933 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 m -130.08 149.42 73.17 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.84 -28.76 59.78 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.617 2.211 . . . . 0.0 111.318 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.48 -58.98 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.887 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 30.3 mtmm -71.22 -27.51 63.53 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.619 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.8 -31.7 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.281 0.563 . . . . 0.0 109.78 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.85 -39.71 21.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.065 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -73.15 -3.68 28.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.027 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -115.11 13.14 16.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.494 0.664 . . . . 0.0 109.545 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -101.11 -48.91 4.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.942 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.588 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 93.6 mmm -74.37 -33.3 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.457 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.95 63.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.364 0.602 . . . . 0.0 110.994 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -68.71 -48.35 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.47 86.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.719 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 p -71.81 -45.23 62.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.957 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -59.38 -43.03 92.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.521 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 28.9 mmt -70.76 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.61 -46.08 23.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.624 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -70.96 -34.67 71.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.42 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.434 HD12 HD11 ' A' ' 44' ' ' ILE . 16.7 mt -59.1 -44.59 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.245 0.545 . . . . 0.0 109.95 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.14 79.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.997 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.45 71.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.764 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.3 m -81.42 -57.79 3.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.846 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -120.04 161.41 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.425 0.631 . . . . 0.0 111.684 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' HB3' ' HZ2' ' A' ' 93' ' ' LYS . 19.4 pt-20 -140.69 156.97 46.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.341 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.46 -13.31 38.79 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.433 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.28 -39.84 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.472 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.511 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -78.01 151.25 36.83 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.196 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -71.39 171.25 11.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 50.0 tp -58.95 -42.41 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.228 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -57.37 -41.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.185 0.516 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -64.24 -48.36 76.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.547 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.472 ' NZ ' ' HA ' ' A' ' 90' ' ' LEU . 36.0 mtmm -60.51 -47.95 83.92 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.006 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.3 m -55.04 -47.12 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.072 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 m -67.44 -38.63 84.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -57.51 -45.33 85.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.049 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 101' ' ' MET . 66.3 mt -65.44 -50.28 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.28 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.266 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -61.11 -45.54 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.527 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.23 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.018 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.9 mmt -61.94 -45.9 91.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.216 0.532 . . . . 0.0 110.049 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 p -73.11 -1.66 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.578 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.557 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.7 OUTLIER -115.16 -25.29 8.14 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.508 174.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.29 81.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.548 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 32.4 m-85 -61.1 -34.2 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.483 0.659 . . . . 0.0 110.54 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.456 HD11 ' N ' ' A' ' 106' ' ' LEU . 5.9 mp -78.06 -19.28 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.319 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 27.5 mm-40 -78.84 -30.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -94.88 -77.52 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.007 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 t -86.24 -28.05 24.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -176.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.56 9.0 51.43 Favored Glycine 0 CA--C 1.506 -0.529 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.321 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.555 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.1 p -146.6 148.08 17.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.198 -0.501 . . . . 0.0 109.685 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -124.15 140.25 48.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.79 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.601 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 14.8 t-20 -97.52 118.15 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.502 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 34.2 tt0 -61.04 -51.27 80.25 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -171.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.601 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 70.4 Cg_exo -52.27 -37.6 70.98 Favored 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.119 1.879 . . . . 0.0 112.658 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.583 ' O ' HG12 ' A' ' 120' ' ' ILE . 17.6 t80 -55.61 -49.81 71.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.14 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.24 -31.94 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.671 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.74 -49.57 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.217 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' B' ' 130' ' ' ALA . 0.5 OUTLIER -60.9 -32.41 71.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.672 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 116' ' ' PHE . 44.1 mm -61.74 -43.11 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.528 0.204 . . . . 0.0 111.242 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -62.94 -31.01 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.32 0.581 . . . . 0.0 110.782 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.74 -34.29 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 126' ' ' MET . 95.6 mt -60.71 -50.31 73.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 t -59.29 -38.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.7 t -73.38 -47.15 44.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 28.3 ptm -59.74 -40.88 89.59 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -173.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.54 -27.28 66.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.629 0.252 . . . . 0.0 111.243 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.0 66.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.412 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.37 -23.87 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.754 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.91 -49.58 8.37 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.363 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.11 88.41 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.246 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -82.46 9.77 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.855 0.836 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.5 -37.62 10.81 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.749 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.07 -37.8 45.79 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.631 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.8 m 40.02 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 124.764 1.29 . . . . 0.0 112.109 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.6 m -70.0 66.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.799 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.921 178.439 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.16 0 N-CA-C 112.086 -0.406 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -135.9 161.39 35.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.27 104.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.866 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -96.95 116.6 29.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.655 0.74 . . . . 0.0 109.927 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -74.94 78.09 2.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.93 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -81.95 156.78 24.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.814 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -89.8 176.59 6.78 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.709 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 40.1 p -118.54 148.47 44.2 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.743 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.23 -21.7 72.25 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.531 2.154 . . . . 0.0 112.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -105.31 18.6 22.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.0 t -69.58 -23.38 63.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -139.99 148.48 55.09 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.83 -35.02 87.4 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.349 2.699 . . . . 0.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.2 20.95 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.542 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.51 -32.79 74.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.589 0.233 . . . . 0.0 110.683 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.39 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.564 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.7 -31.7 52.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.334 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.88 -38.05 84.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.5 -45.15 77.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.28 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mtt -67.74 -36.01 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.069 0.461 . . . . 0.0 110.352 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.405 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -61.49 -51.11 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.738 177.511 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.9 m -63.28 -38.58 91.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.31 -51.16 70.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.356 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -62.03 -36.65 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.377 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 51.9 mt-30 -62.99 -43.32 99.11 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.178 0.513 . . . . 0.0 110.203 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -69.47 -43.62 68.41 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.217 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 t -73.66 7.72 2.29 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.086 0.469 . . . . 0.0 110.565 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -127.55 20.25 6.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.911 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 25.0 mmt -107.79 151.82 41.31 Favored Pre-proline 0 N--CA 1.456 -0.16 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.62 -177.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.82 167.22 22.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 111.796 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.68 -42.6 3.17 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.684 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -81.84 142.63 32.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.072 0.463 . . . . 0.0 111.225 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -99.17 151.47 20.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.24 70.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.832 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.48 -40.61 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.7 -36.15 71.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.3 -28.72 67.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.304 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.26 -43.61 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.496 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -72.11 -21.65 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.929 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -60.98 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.492 ' HB ' ' HD3' ' A' ' 65' ' ' LYS . 5.7 m -66.92 -38.84 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.679 0.276 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mt -68.46 -31.96 53.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.203 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.22 97.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.935 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 -12.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.1 p -89.41 -33.11 16.96 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.537 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.495 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 74.5 mmm -66.7 -43.38 84.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.645 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.86 -40.97 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -64.26 -38.46 91.13 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.972 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 50.5 m -60.24 -49.61 76.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.53 -52.4 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.466 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.9 -34.7 77.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.58 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.5 m -72.74 -37.26 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 110.532 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 51' ' ' SER . 88.9 mt -65.01 -34.17 77.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.67 64.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.0 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.14 92.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -24.25 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.249 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 54.12 2.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.412 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 29.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 127.11 33.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.978 0.418 . . . . 0.0 110.936 176.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 m -124.6 155.08 69.9 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.83 -39.25 90.85 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.737 2.291 . . . . 0.0 111.84 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.84 -56.12 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.48 -30.76 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 mt -69.29 -36.01 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 110.347 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -73.84 -42.58 60.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.083 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.624 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -60.5 -41.96 95.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.267 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.02 3.93 21.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.202 0.525 . . . . 0.0 110.346 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.4 -48.43 6.66 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.468 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 87.8 mmm -71.69 -36.09 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.712 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.52 -52.88 43.24 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.139 0.275 . . . . 0.0 111.082 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.495 ' N ' ' HE2' ' B' ' 48' ' ' MET . 75.5 t80 -57.07 -46.14 82.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.994 0.426 . . . . 0.0 110.689 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.43 91.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.205 -178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -72.76 -38.05 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.522 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.496 ' O ' HG13 ' B' ' 80' ' ' ILE . 18.3 m -62.61 -38.05 88.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.151 0.501 . . . . 0.0 110.802 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.51 ' HA ' ' HE3' ' B' ' 77' ' ' MET . 28.8 mmt -72.78 -24.8 60.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.038 0.447 . . . . 0.0 110.438 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.28 37.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.806 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.588 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 9.3 pt-20 -64.55 -37.46 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 76' ' ' SER . 21.8 mt -62.49 -40.39 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.8 57.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.505 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.95 82.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.987 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -71.08 -56.78 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.0 120.13 41.23 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.827 0.822 . . . . 0.0 111.22 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' B' ' 93' ' ' LYS . 9.4 tp10 -76.58 158.28 31.29 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.587 175.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.71 -40.39 0.5 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.201 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.89 -35.88 0.37 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.102 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.58 151.33 23.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.224 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 m -57.16 150.77 16.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.748 0.274 . . . . 0.0 110.671 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.34 -43.61 88.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.457 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m -56.09 -34.65 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -67.97 -50.03 58.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' B' ' 85' ' ' GLU . 36.7 mtmm -60.18 -46.86 88.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.148 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -53.93 -42.19 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -70.91 -37.89 72.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.4 m -60.04 -44.14 94.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' B' ' 101' ' ' MET . 56.2 mt -64.68 -48.19 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.595 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.55 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 18.5 t -60.48 -46.99 88.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.604 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -64.93 -32.52 74.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.36 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.1 mmt -65.56 -49.21 69.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.086 0.47 . . . . 0.0 110.187 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 8.4 p -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -175.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.604 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.2 p-10 -79.77 -24.53 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.365 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.75 73.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.142 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -63.6 -32.37 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.335 0.588 . . . . 0.0 110.399 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.62 -12.27 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.959 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -92.02 -33.45 14.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.442 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -89.19 -70.31 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.928 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 13.2 p -84.88 -37.8 20.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.055 0.455 . . . . 0.0 111.052 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.62 -0.34 34.45 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -142.34 149.65 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -106.46 124.39 61.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.337 0.589 . . . . 0.0 111.559 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' B' ' 116' ' ' PHE . 10.6 t30 -74.34 101.31 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.045 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 33.0 tt0 -56.81 -49.76 91.98 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -173.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 13.5 Cg_endo -58.34 -7.75 4.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.497 2.131 . . . . 0.0 113.572 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.653 ' O ' HG12 ' B' ' 120' ' ' ILE . 56.7 t80 -84.89 -46.24 11.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.0 mm -66.47 -37.83 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.051 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.32 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.064 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' B' ' 122' ' ' GLN . 0.3 OUTLIER -69.62 -31.13 69.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.488 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.653 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.8 mm -62.44 -45.09 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.488 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 41.5 p -60.64 -35.52 76.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 0.0 110.824 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' B' ' 119' ' ' GLU . 14.9 mt-30 -70.07 -41.25 74.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.559 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.9 -56.33 23.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.305 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.37 -34.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 25.1 m -76.5 -56.5 4.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.359 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -56.25 -33.79 65.77 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.83 -20.51 66.27 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.11 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.236 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.88 -24.41 41.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.048 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' A' ' 119' ' ' GLU . . . -61.31 -51.58 68.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.29 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 65.86 27.89 73.16 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.962 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -85.26 20.49 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.925 0.869 . . . . 0.0 110.552 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.429 HD21 ' N ' ' B' ' 134' ' ' ASP . 0.3 OUTLIER -113.14 -39.43 4.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.958 -1.473 . . . . 0.0 109.566 -178.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.429 ' N ' HD21 ' B' ' 133' ' ' ASN . 2.2 t70 -71.95 -59.86 2.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.446 179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . 0.431 ' O ' HG22 ' B' ' 135' ' ' VAL . 33.2 m 24.17 84.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 125.079 1.487 . . . . 0.0 113.898 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 41.1 m -72.69 62.03 0.55 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.463 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . 0.445 ' HB2' ' NE2' ' A' ' 6' ' ' HIS . . . . . . . . 0 C--O 1.252 1.187 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.752 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -88.24 100.23 12.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.921 0.391 . . . . 0.0 110.072 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.92 109.37 2.84 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.724 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.5 50.28 1.07 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -60.16 98.49 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.463 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -83.82 -32.19 25.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.701 -174.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 t -171.85 161.0 5.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.315 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 11' ' ' THR . 10.4 p -146.53 157.7 47.89 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.66 -12.41 31.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.511 2.141 . . . . 0.0 112.583 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -121.21 17.56 11.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 8' ' ' THR . 14.8 t -85.45 -14.59 45.65 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.58 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -137.15 136.5 20.97 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.229 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 69.7 Cg_exo -52.66 -41.6 67.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.371 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.78 78.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.386 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.69 -39.8 94.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.595 -0.356 . . . . 0.0 110.641 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.04 90.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.245 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.7 pt-20 -74.98 -28.68 60.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.711 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.524 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 60.8 m-20 -69.36 -32.38 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.051 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.74 -33.23 66.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.6 mmt -69.08 -53.44 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.524 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 12.1 p30 -73.7 -26.23 60.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -176.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 m -72.08 -19.26 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 110.359 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -84.29 -52.49 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.918 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.7 mmm -60.3 -34.94 74.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.327 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.39 -27.91 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.692 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -35.91 9.94 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.8 tp -65.91 -32.38 73.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.77 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -66.06 -13.48 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -96.69 1.22 50.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.261 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -97.86 140.14 21.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.143 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.74 -27.5 18.09 Favored 'Trans proline' 0 N--CA 1.471 0.156 0 C-N-CA 122.88 2.387 . . . . 0.0 113.059 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.56 73.03 Favored Glycine 0 CA--C 1.517 0.171 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.21 -172.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -106.97 141.31 38.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.29 0.567 . . . . 0.0 111.801 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.4 p -102.98 173.42 6.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.17 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.51 74.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -60.13 -46.46 89.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.408 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.79 -45.42 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.671 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.03 -39.63 94.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.968 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.6 -46.57 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 109.786 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.4 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 9.5 ptm -78.21 -24.89 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.167 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -64.98 -21.4 66.84 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 m -63.73 -43.69 95.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.0 mt -75.92 -34.06 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.227 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.98 61.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' O ' HG21 ' A' ' 49' ' ' VAL . 2.1 pt20 -80.15 -21.79 42.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.074 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.7 t -65.06 -42.78 93.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 52' ' ' ILE . 89.3 mmm -62.8 -47.78 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.723 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 46' ' ' GLN . 14.8 m -63.94 -38.21 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.46 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -71.49 -33.84 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -66.91 -42.17 85.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.975 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 48' ' ' MET . 77.0 mt -57.43 -50.08 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.035 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.612 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.14 -36.64 82.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.417 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -66.59 -34.84 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.976 0.417 . . . . 0.0 110.577 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.84 -33.83 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.806 0.336 . . . . 0.0 110.376 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.25 84.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.184 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.12 77.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.252 0.548 . . . . 0.0 110.731 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.53 -17.57 56.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.27 29.61 52.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.248 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -113.06 21.9 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.482 0.658 . . . . 0.0 110.484 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -92.95 118.24 30.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.898 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 m -118.03 162.37 29.87 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.35 -44.51 48.37 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.302 2.001 . . . . 0.0 111.852 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -73.02 -25.78 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.894 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 8.9 tppt? -69.79 -47.73 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 0.0 109.685 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 mt -68.39 -36.78 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.742 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.498 ' NE2' ' HA ' ' B' ' 133' ' ' ASN . 34.1 tt0 -54.93 -49.38 71.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.754 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.628 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -59.98 -35.84 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.298 0.57 . . . . 0.0 110.689 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.08 -4.92 46.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.448 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -84.87 -47.42 10.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.345 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.497 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 92.6 mmm -79.19 -30.15 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' B' ' 76' ' ' SER . . . -60.01 -34.83 73.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.88 171.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -72.07 -44.36 63.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.936 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 120' ' ' ILE . . . -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -66.32 -51.21 59.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.65 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.6 p -61.4 -39.31 90.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.974 0.416 . . . . 0.0 111.282 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.516 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 29.2 mmt -69.34 -30.75 68.85 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.449 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.58 -44.58 50.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 7.7 pt-20 -67.53 -32.71 73.69 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.379 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 76' ' ' SER . 17.1 mt -67.74 -48.38 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.974 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.01 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.832 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.487 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -75.68 -77.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.231 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 170.4 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 111.87 -173.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.61 -154.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.266 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.0 -26.49 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.76 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.83 -1.04 42.49 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.984 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 180.0 179.13 48.8 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.056 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.6 m -85.57 -175.72 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.577 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.506 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 50.9 tp -54.0 -42.54 69.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -70.32 -37.61 74.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.088 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -63.67 -53.53 49.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.324 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.3 pttt -68.41 -31.14 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 m -67.64 -47.53 69.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.638 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 m -65.76 -28.73 69.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -61.99 -43.94 97.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.619 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.98 -42.41 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.99 81.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.729 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -68.12 -42.06 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.63 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.62 -36.39 83.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 mmt -64.77 -35.37 80.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.029 0.442 . . . . 0.0 110.031 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -67.28 -51.85 47.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.835 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.63 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.5 p-10 -66.71 -27.84 67.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.007 -173.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.18 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.483 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.542 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 18.1 m-85 -71.01 -35.16 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 110.85 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mp -74.35 -16.93 60.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 74.8 mm-40 -89.14 -27.35 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.601 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -96.99 -32.12 12.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.921 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.43 25.97 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.718 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.7 p -155.75 153.76 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.615 0.245 . . . . 0.0 110.371 -177.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.8 p -121.71 137.39 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -75.74 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.505 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 50.1 tt0 -179.58 -57.96 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 119.308 -0.377 . . . . 0.0 111.5 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 26.9 Cg_exo -60.98 -26.71 83.64 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 121.947 1.765 . . . . 0.0 112.585 -170.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.505 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.07 -43.17 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 109.751 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.7 mm -70.65 -30.98 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 115' ' ' PRO . 16.8 m120 -62.55 -46.05 90.15 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.6 mm-40 -60.0 -41.38 91.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.0 mm -59.1 -44.45 91.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.0 p -67.35 -28.41 67.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.08 -41.49 64.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.305 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -60.09 -53.7 54.67 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.86 -35.79 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.248 0.546 . . . . 0.0 110.595 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -70.53 -47.89 58.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.291 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ptm -66.92 -39.0 87.25 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.55 -23.08 67.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 111.272 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.32 98.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.08 -29.15 43.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.792 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.54 69.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.799 175.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.35 23.79 64.89 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.247 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -82.39 4.03 25.65 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.064 0.935 . . . . 0.0 110.328 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.423 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -92.33 -42.32 9.87 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.123 175.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.87 -35.07 13.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.8 m 43.88 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.585 1.154 . . . . 0.0 113.448 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 m -70.85 52.63 0.15 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.771 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.491 -177.539 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -138.94 143.92 38.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.6 62.4 4.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.126 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -121.05 94.4 4.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 31.9 t -108.27 130.94 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.436 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.458 ' O ' ' HB ' ' B' ' 7' ' ' THR . 67.8 t60 -101.41 -56.75 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' B' ' 6' ' ' HIS . 5.0 t 177.22 164.45 0.54 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.317 173.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -120.04 159.2 48.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.349 0.119 . . . . 0.0 110.801 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.86 -15.36 46.92 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.478 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -116.77 22.85 12.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.676 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -68.26 -27.1 66.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.477 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -145.97 153.63 49.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.74 -35.0 67.24 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.09 2.527 . . . . 0.0 113.042 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.19 -51.25 60.32 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.794 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.6 -32.29 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.504 -0.409 . . . . 0.0 110.637 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.95 77.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.224 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.41 -27.26 63.18 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 110.828 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.415 ' HA ' HD22 ' B' ' 21' ' ' ASN . 43.4 m-20 -65.68 -38.71 90.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.96 -38.15 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.66 -56.07 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.415 HD22 ' HA ' ' B' ' 18' ' ' ASN . 10.4 p30 -72.67 -29.78 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.243 -174.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.425 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 35.6 t -68.7 -25.9 65.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.399 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -75.23 -51.38 13.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.958 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.4 mmm -61.57 -36.16 79.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.142 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -71.42 -27.13 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.41 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.21 -35.8 14.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.36 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.41 -29.08 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.644 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' B' ' 38' ' ' LEU . 20.4 t -69.51 3.96 2.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.903 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -119.99 9.07 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.355 0.598 . . . . 0.0 109.93 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -95.85 141.01 22.57 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.3 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.83 -23.81 30.06 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.677 2.251 . . . . 0.0 112.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.94 70.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.21 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -126.16 133.31 51.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.0 0.428 . . . . 0.0 111.02 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -99.06 170.27 8.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.33 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.338 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -73.89 -37.53 64.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -74.86 -40.59 60.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.436 0.636 . . . . 0.0 110.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' B' ' 28' ' ' SER . 76.8 mt -65.49 -24.62 67.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.436 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -35.86 81.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.821 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.48 -42.0 13.11 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.803 -174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 12.4 ptm -71.14 -22.85 62.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -64.79 -12.41 47.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.2 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.5 m -74.88 -17.65 60.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.672 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 50.9 mt -96.36 -26.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.4 0.619 . . . . 0.0 109.923 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.21 -56.3 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.345 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.26 0.16 45.14 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 5.5 p -86.89 -42.14 13.45 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.294 173.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mmm -59.04 -38.56 79.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -66.2 -34.32 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -74.69 -36.06 62.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.494 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -61.46 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.09 -48.35 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.771 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.88 -37.42 79.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.258 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -34.32 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.74 -36.13 73.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 110.46 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -39.14 70.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.034 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.5 -29.22 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . 0.403 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 49.8 mt-30 -87.75 -31.45 19.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.317 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.6 31.69 5.4 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.583 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.403 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -112.85 17.54 18.9 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.133 0.492 . . . . 0.0 110.566 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.21 123.12 25.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.121 178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 37.8 p -138.57 164.72 37.99 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 11.2 Cg_endo -53.34 -36.35 78.36 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.162 1.908 . . . . 0.0 111.849 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.83 -42.41 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -61.3 -44.77 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.834 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.17 -39.43 78.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 34.5 tt0 -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.145 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.69 0.18 9.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.826 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -111.65 11.6 21.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.171 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -54.21 4.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.325 176.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.504 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 91.7 mmm -75.97 -29.6 58.31 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.21 61.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.89 0.376 . . . . 0.0 111.186 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -83.19 -44.81 14.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' B' ' 120' ' ' ILE . . . -60.95 -37.78 83.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -77.56 -35.0 53.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.596 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.5 p -71.53 -33.02 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 0.0 110.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.528 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -71.26 -25.75 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 -43.9 50.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.068 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.628 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 14.9 pt-20 -66.06 -39.85 90.43 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.503 HG13 ' O ' ' B' ' 76' ' ' SER . 20.3 mt -61.46 -39.98 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.491 0.662 . . . . 0.0 109.285 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.505 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -72.0 -40.65 68.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.311 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.08 38.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.921 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -105.41 -68.08 0.88 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 110.793 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.91 163.85 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.326 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.612 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 7.9 pt-20 -155.68 164.77 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.067 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -99.02 2.16 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.114 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.03 11.05 29.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.096 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.41 142.83 14.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.9 m -78.72 -172.38 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.238 0.215 . . . . 0.0 111.124 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.539 ' HA ' ' CD ' ' B' ' 93' ' ' LYS . 49.0 tp -56.97 -35.09 68.75 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.738 0.304 . . . . 0.0 111.785 -175.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -77.16 -20.36 55.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.056 0.455 . . . . 0.0 110.935 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.5 m -89.65 -50.63 5.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.369 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.612 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 14.7 ptmt -60.34 -39.24 86.42 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.606 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -64.91 -43.61 92.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.221 0.534 . . . . 0.0 110.705 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -67.59 -35.19 78.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.659 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -58.06 -48.46 80.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.171 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mt -67.46 -40.26 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.0 83.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.337 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -77.09 -22.73 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.04 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.549 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -87.62 -32.25 19.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.303 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.7 mmt -67.56 -39.08 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.191 0.52 . . . . 0.0 110.257 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.2 p -69.32 -48.88 60.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.56 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.549 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.3 p-10 -65.27 -22.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.162 -173.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.49 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -73.05 -33.16 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.804 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.402 HD12 HG11 ' B' ' 112' ' ' VAL . 6.9 mp -75.04 2.72 9.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 75.6 mm-40 -99.24 -47.67 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.286 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -78.95 -66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.173 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 11.5 p -82.85 -38.56 22.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.47 8.53 40.45 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.81 148.64 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.764 -0.718 . . . . 0.0 109.753 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.402 HG11 HD12 ' B' ' 106' ' ' LEU . 2.2 p -111.29 132.58 59.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.778 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.38 -91.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.867 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.532 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 38.7 tt0 178.99 -60.28 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 21.0 Cg_exo -65.26 -34.81 43.63 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.824 1.682 . . . . 0.0 112.842 -171.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.582 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.8 t80 -54.01 -50.07 67.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.341 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.56 -33.29 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.727 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -67.45 -33.47 75.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 27.0 mm-40 -73.9 -36.24 64.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.832 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 116' ' ' PHE . 33.7 mm -60.35 -44.83 96.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.3 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -62.17 -36.82 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.793 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -67.7 -40.91 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.596 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.8 mt -60.85 -53.72 53.83 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.441 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 120' ' ' ILE . 40.0 t -59.58 -34.18 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.17 0.51 . . . . 0.0 110.806 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 20.5 t -85.63 -20.45 29.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.972 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.5 ptm -83.55 -45.06 13.97 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.316 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -63.08 -17.37 62.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.072 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.72 99.76 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.461 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.84 -34.11 62.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.628 0.251 . . . . 0.0 110.599 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.27 -52.56 64.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.038 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.06 22.11 64.53 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.05 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -79.76 -1.03 36.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.856 0.836 . . . . 0.0 110.586 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.498 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -89.94 -37.1 14.6 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.791 171.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.55 -28.62 26.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.092 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . 0.457 ' C ' ' H ' ' B' ' 137' ' ' ALA . 34.2 m 49.28 95.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.864 1.265 . . . . 0.0 113.495 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 p -79.96 33.1 0.27 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.829 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.244 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -153.44 171.16 19.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.6 13.34 67.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -92.49 85.63 5.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.383 . . . . 0.0 110.259 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -88.73 170.08 11.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.798 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.36 -173.77 2.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -74.28 136.24 42.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 11' ' ' THR . 2.3 p -156.1 153.46 25.56 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.425 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.82 -15.3 46.84 Favored 'Trans proline' 0 C--N 1.34 0.086 0 C-N-CA 122.264 1.976 . . . . 0.0 112.597 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -117.44 14.69 14.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 8' ' ' THR . 13.3 t -82.95 -23.03 33.61 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.03 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -128.97 132.07 24.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.21 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -40.37 80.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 111.782 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 18' ' ' ASN . . . -58.92 -35.19 81.93 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.983 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.55 -41.83 23.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.751 0.276 . . . . 0.0 110.462 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.72 81.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.677 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -32.73 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 111.34 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER -73.4 -26.04 60.81 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.099 0.476 . . . . 0.0 110.266 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.26 -42.93 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.985 174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.2 mtt -76.64 -42.14 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -58.96 -44.59 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.395 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 p -74.75 -33.44 62.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -58.28 -48.47 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mmm -59.3 -36.68 76.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.494 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -68.31 -29.4 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.297 0.57 . . . . 0.0 111.181 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.77 -30.12 24.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.051 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -78.54 -28.4 46.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.432 ' HA ' ' HG ' ' A' ' 38' ' ' LEU . 52.4 p -64.04 -21.81 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -104.17 23.95 12.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.563 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 mmt -103.24 135.61 19.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.78 -13.38 32.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.032 2.488 . . . . 0.0 112.452 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.45 -37.1 94.29 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.111 -0.95 . . . . 0.0 113.124 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -109.03 172.07 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.902 -173.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.7 p -110.07 162.51 14.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.539 173.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.51 66.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.637 ' NE2' ' HB2' ' A' ' 84' ' ' GLU . 46.9 mt-30 -69.93 -44.13 70.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.252 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 28' ' ' SER . 4.5 mm? -59.2 -33.35 70.86 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.764 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.95 -32.15 68.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 29.7 t70 -81.48 -46.93 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.728 0.299 . . . . 0.0 110.877 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 10.2 ptp -69.24 -22.02 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.188 -178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 t -59.38 -32.62 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.028 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -63.95 -40.63 96.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.59 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -70.29 -42.11 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.233 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.74 48.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.102 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' HA ' HG23 ' A' ' 49' ' ' VAL . 2.0 pt20 -77.24 -23.86 51.23 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.483 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -66.64 -40.48 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.133 0.492 . . . . 0.0 109.894 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.454 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.4 mmm -69.95 -38.87 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.983 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 46' ' ' GLN . 13.0 m -72.19 -35.15 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.314 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -69.23 -36.1 76.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.68 0.276 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -72.19 -38.47 69.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.709 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 48' ' ' MET . 68.1 mt -59.75 -47.54 90.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 110.449 174.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.44 -39.43 83.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.763 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -46.05 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.27 -32.97 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.097 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.3 92.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 0.0 110.441 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.88 65.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.058 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.5 -5.41 58.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.272 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.98 41.91 70.31 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.921 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -111.26 -3.35 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.062 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -83.52 124.7 31.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.601 0.715 . . . . 0.0 112.556 -172.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 32.8 m -153.09 162.29 26.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 175.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 3.3 Cg_endo -45.57 -52.59 6.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.173 2.582 . . . . 0.0 113.279 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.69 -30.46 71.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.2 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 26.4 mmmt -73.06 -43.79 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.24 0.543 . . . . 0.0 110.321 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.63 -31.65 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.209 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.29 -45.02 88.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.467 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.508 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -72.21 -3.64 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.614 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.7 mt -112.39 3.18 16.79 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.535 0.683 . . . . 0.0 109.307 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -87.1 -48.31 8.18 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.51 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 96.7 mmm -72.84 -31.94 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.223 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' HB2' ' HE1' ' A' ' 48' ' ' MET . . . -56.95 -35.2 68.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.0 111.163 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.1 t80 -77.87 -43.62 29.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.69 71.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.707 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 p -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.314 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.636 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 p -68.61 -23.93 64.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.247 0.546 . . . . 0.0 111.428 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.518 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -77.37 -21.58 53.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.153 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.7 -40.07 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.636 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 11.2 pt-20 -65.24 -38.9 91.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.681 0.277 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' SER . 19.5 mt -66.2 -42.09 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.41 0.624 . . . . 0.0 109.911 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.28 94.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.283 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.16 9.09 15.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.517 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -105.37 -69.76 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.682 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.637 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 15.6 mp0 -84.58 151.28 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.934 0.873 . . . . 0.0 111.912 -174.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.25 -151.33 0.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.796 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.65 -138.02 7.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.129 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.95 -13.02 59.67 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.36 123.02 5.89 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -69.36 176.91 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.35 0.26 . . . . 0.0 111.113 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 58.4 tp -55.41 -40.33 71.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.937 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -63.81 -39.57 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.67 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -70.86 -31.13 67.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.234 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HE3' ' OE1' ' A' ' 37' ' ' GLN . 41.2 mmtm -59.66 -43.81 93.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.345 0.593 . . . . 0.0 109.971 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.47 65.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.063 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.3 m -62.69 -38.36 90.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.912 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 p -68.22 -45.38 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.043 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.4 mt -62.23 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.593 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.41 -43.71 71.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.92 0.391 . . . . 0.0 111.125 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.65 -51.14 69.7 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.03 64.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.562 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.2 -46.99 84.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.049 0.452 . . . . 0.0 109.968 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -36.63 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.133 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -63.92 -42.9 97.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.082 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -36.29 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -63.57 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.289 0.566 . . . . 0.0 110.622 174.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.07 -8.38 56.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.016 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -98.1 -27.56 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -90.69 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.766 0.317 . . . . 0.0 111.705 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 p -94.74 -49.2 5.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.036 0.446 . . . . 0.0 111.092 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.12 -1.98 9.07 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -137.92 149.27 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.26 142.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.915 0.388 . . . . 0.0 110.959 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -101.82 112.97 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.66 -48.99 91.72 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.34 -46.5 19.76 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.098 1.865 . . . . 0.0 112.509 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.0 -53.04 62.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.51 -38.97 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.96 -40.93 95.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.437 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.86 -29.73 70.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.402 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 116' ' ' PHE . 35.8 mm -65.57 -34.1 68.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.9 p -64.44 -33.44 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -69.57 -31.62 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.496 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.94 -48.9 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.8 t -62.17 -35.87 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -73.02 -41.29 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.582 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -71.92 -38.21 69.91 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.642 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.22 -12.91 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.713 0.292 . . . . 0.0 111.161 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.03 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.66 -32.72 58.14 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.414 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.67 -59.14 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.457 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.61 61.39 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.161 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -82.12 9.52 8.42 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.483 0.659 . . . . 0.0 111.408 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.42 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -99.57 -42.32 6.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.834 177.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.95 -49.77 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.027 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 30.7 m 40.36 31.07 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.529 1.132 . . . . 0.0 113.982 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.3 m 56.25 28.23 12.95 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.212 0.529 . . . . 0.0 111.752 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.543 179.722 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -170.19 170.53 7.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.55 42.83 3.14 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.359 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -92.83 85.24 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.102 0.477 . . . . 0.0 110.225 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -63.92 138.21 58.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -80.69 170.95 15.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.539 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -59.23 137.54 57.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.71 0.767 . . . . 0.0 111.833 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.607 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.1 p -154.68 162.32 27.36 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.886 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.9 -12.92 36.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.306 2.004 . . . . 0.0 112.792 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -126.7 17.29 7.46 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.607 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 11.5 t -79.53 -26.44 41.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.753 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.46 ' HB2' HD21 ' B' ' 15' ' ' LEU . 88.4 m-20 -134.46 151.3 75.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.416 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 12' ' ' ASN . 13.2 Cg_exo -70.85 7.96 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.813 2.342 . . . . 0.0 111.79 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.407 ' C ' HD22 ' B' ' 15' ' ' LEU . . . -108.85 -2.04 32.14 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' B' ' 12' ' ' ASN . 3.8 mm? -118.78 -31.29 4.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.05 88.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.133 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -28.41 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.994 0.425 . . . . 0.0 110.752 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.16 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.429 173.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.09 -47.64 84.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.859 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 14.1 mmt -58.68 -51.48 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.432 0.634 . . . . 0.0 110.675 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.482 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 47.6 m-80 -62.98 -46.83 85.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.154 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.8 m -60.95 -31.18 70.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.861 0.363 . . . . 0.0 111.001 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -70.07 -52.05 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.7 -35.8 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.639 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 98.0 mt-30 -64.19 -28.59 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.254 0.549 . . . . 0.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.89 -23.22 30.88 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.323 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.31 -29.88 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 0.0 111.205 -175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -74.12 5.23 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.914 0.387 . . . . 0.0 111.838 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -120.86 12.61 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.094 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mmt -95.4 132.75 27.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.11 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.59 -19.5 32.1 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.229 2.619 . . . . 0.0 113.459 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -20.31 73.8 Favored Glycine 0 C--N 1.32 -0.328 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.347 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -106.0 174.13 6.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -173.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p -116.58 168.99 9.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.07 85.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -63.99 -41.56 97.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.18 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.31 -47.75 63.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.277 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.09 -36.31 74.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.023 0.439 . . . . 0.0 110.677 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.48 -44.34 91.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.587 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.35 -51.05 16.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.332 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 10.6 ptm -71.07 -21.18 62.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.7 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -64.85 -19.35 65.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.998 0.427 . . . . 0.0 110.292 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 43.3 m -72.82 -40.88 65.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mt -72.14 -32.93 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.266 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.428 ' O ' HG12 ' B' ' 49' ' ' VAL . . . -51.94 -51.93 53.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.069 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.484 ' O ' HG21 ' B' ' 49' ' ' VAL . 2.2 pt20 -78.54 -22.56 47.1 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.454 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -65.48 -40.95 93.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 0.0 109.957 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.434 ' O ' HG13 ' B' ' 52' ' ' ILE . 94.7 mmm -73.13 -27.11 61.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.401 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 10.6 m -81.77 -38.84 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.085 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -72.34 -30.42 64.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.591 0.234 . . . . 0.0 111.332 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 2.9 p -66.61 -43.02 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 48' ' ' MET . 81.8 mt -58.69 -44.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 176.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' B' ' 49' ' ' VAL . 82.1 mt-30 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.097 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -67.24 -33.67 75.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.629 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 51' ' ' SER . 71.1 mt -72.49 -37.33 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 176.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.416 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.17 87.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 111.083 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.95 -17.27 41.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.195 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.24 41.72 8.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.93 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -102.57 -1.01 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.43 127.35 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.292 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.442 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 15.5 m -150.4 161.43 30.64 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 9.3 Cg_endo -51.23 -42.56 53.41 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.685 2.257 . . . . 0.0 112.624 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.49 -46.43 90.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 45.8 mmtt -59.21 -47.6 84.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.3 0.572 . . . . 0.0 109.977 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.85 -42.96 84.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.885 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 33.5 tt0 -61.26 -50.05 74.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.513 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.89 -33.85 74.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 mt -76.26 -5.16 45.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.299 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -45.05 11.97 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 170.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.0 mmm -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.541 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.57 -24.57 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 111.282 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' B' ' 77' ' ' MET . 78.6 t80 -82.55 -41.14 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.266 0.555 . . . . 0.0 109.623 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' B' ' 120' ' ' ILE . . . -62.42 -37.37 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.444 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.0 p -70.56 -45.55 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.548 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.3 p -66.17 -33.75 76.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 111.379 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.7 mmt -70.2 -28.03 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.338 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.78 -44.86 47.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.061 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.548 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 12.1 pt-20 -64.18 -37.66 88.28 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.726 0.298 . . . . 0.0 110.964 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 76' ' ' SER . 19.1 mt -66.39 -43.48 91.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.216 0.531 . . . . 0.0 110.314 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.319 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.31 4.93 7.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.579 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -100.99 -64.46 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.391 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -90.96 133.64 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 112.127 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.448 ' OE2' ' HA ' ' B' ' 89' ' ' SER . 10.3 mm-40 -112.3 -166.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.025 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.21 -79.09 0.32 Allowed Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.0 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 -5.0 63.85 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.18 138.74 6.75 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.448 ' HA ' ' OE2' ' B' ' 85' ' ' GLU . 23.2 m -83.85 168.47 16.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.784 0.292 . . . . 0.0 111.083 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.28 -36.19 75.1 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.2 m -60.43 -35.56 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.31 0.576 . . . . 0.0 110.323 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -77.42 -36.91 52.8 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.868 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -53.74 -55.51 25.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.465 0.65 . . . . 0.0 109.946 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -55.29 -47.99 74.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.696 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 29.2 m -69.24 -42.15 76.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.753 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.3 p -65.31 -44.14 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.267 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.07 -47.05 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.672 0.272 . . . . 0.0 110.484 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.33 -46.78 85.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -65.35 -41.86 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.04 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.291 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.421 ' SD ' HG13 ' B' ' 120' ' ' ILE . 39.5 mtt -67.22 -42.57 83.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.813 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.2 m -57.46 -38.82 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.324 0.583 . . . . 0.0 110.124 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.2 t30 -64.23 -43.8 93.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.929 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.46 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.457 -178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.607 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 27.8 m-85 -63.35 -39.68 95.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.04 -21.88 60.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 68.0 mm-40 -83.14 -42.12 17.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.608 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.8 p -71.21 -76.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.086 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 8.7 t -98.77 -21.99 16.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.3 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.87 12.86 26.91 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.272 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -151.13 148.92 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.48 140.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 0.0 111.009 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -100.76 113.82 27.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.557 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.479 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 21.8 mp0 -58.5 -51.3 82.82 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' B' ' 114' ' ' GLN . 85.4 Cg_exo -48.57 -44.77 29.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 122.078 1.852 . . . . 0.0 112.688 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.55 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.2 t80 -57.91 -58.62 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.46 -35.5 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -65.98 -41.61 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.069 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 57.6 mm-40 -67.74 -31.53 71.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.55 HG12 ' O ' ' B' ' 116' ' ' PHE . 35.3 mm -62.65 -40.74 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 59.9 p -61.09 -33.29 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.001 0.429 . . . . 0.0 110.727 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.0 -38.17 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.442 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.38 -51.34 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.657 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.79 -35.09 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.126 0.489 . . . . 0.0 110.443 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 53.7 m -73.48 -48.08 36.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -64.37 -41.22 96.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.92 -20.95 66.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 111.648 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.5 84.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.66 -21.21 30.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.019 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.8 -54.41 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.517 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.34 12.63 58.81 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.836 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.55 7.93 21.19 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.572 0.701 . . . . 0.0 111.19 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -42.75 8.65 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.12 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.88 -48.11 14.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.34 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 32.8 m 47.55 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.312 1.445 . . . . 0.0 114.64 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.7 m 26.24 72.57 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.697 1.248 . . . . 0.0 113.417 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.355 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -99.95 109.96 22.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.17 63.61 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.703 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -132.68 15.95 4.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.819 0.342 . . . . 0.0 111.371 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m -120.97 119.93 33.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.01 0.434 . . . . 0.0 111.082 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -89.72 173.12 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 t -92.37 147.73 22.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.509 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.431 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 19.9 p -121.73 159.07 52.5 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 37.5 Cg_endo -68.1 5.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.544 2.163 . . . . 0.0 113.176 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.521 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 9.5 p90 -137.46 18.68 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 14.5 t -83.53 -10.33 58.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -146.82 150.63 39.96 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.957 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -32.05 67.92 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.015 2.476 . . . . 0.0 112.814 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -56.04 24.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.191 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.2 -35.5 81.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.627 0.214 . . . . 0.0 111.16 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.7 95.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.222 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.38 -42.52 98.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.506 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -65.14 -41.99 94.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -49.88 -45.22 50.42 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.452 0.47 . . . . 0.0 111.267 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.44 -51.34 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -67.64 -39.77 84.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.243 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 m -66.25 -24.46 66.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.236 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 73.7 t80 -81.64 -51.44 8.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.24 -31.3 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.514 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.14 -28.71 69.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.411 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.13 -35.47 6.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD21 ' CZ ' ' A' ' 23' ' ' PHE . 43.2 tp -70.95 -26.58 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.059 0.456 . . . . 0.0 110.687 -175.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 p -75.21 -0.17 18.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -113.01 5.13 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.278 0.561 . . . . 0.0 109.648 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 mmt -98.98 148.82 35.09 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.29 160.72 46.36 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.361 2.041 . . . . 0.0 111.184 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.28 -38.14 3.34 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.38 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 93' ' ' LYS . 77.1 m-85 -103.59 123.03 46.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -91.22 170.28 10.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.664 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.96 67.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -68.37 -46.1 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' A' ' 41' ' ' MET . 85.7 mm-40 -72.13 -37.5 69.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.96 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.1 -45.7 92.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.25 -46.77 75.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 6.9 ptp -73.58 -30.61 63.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.179 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -65.22 -27.04 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.251 0.548 . . . . 0.0 109.752 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.9 m -67.03 -40.49 87.22 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.994 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 48' ' ' MET . 38.0 mt -72.89 -35.34 48.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.511 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.45 32.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 49' ' ' VAL . 1.2 pt20 -75.02 -21.94 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 29.1 t -66.34 -43.12 86.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 92.9 mmm -66.22 -41.84 89.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.83 -178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.657 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 14.4 m -67.39 -31.52 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.541 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -75.01 -29.73 60.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 110.708 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.7 m -59.59 -44.25 93.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 48' ' ' MET . 72.7 mt -62.57 -47.13 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.552 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 73.2 mm-40 -56.62 -46.32 81.0 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -64.1 -34.93 79.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.979 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -78.49 -36.79 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.029 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.9 -36.0 72.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.155 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.98 95.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.504 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -72.26 -46.89 54.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.471 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.9 53.68 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.807 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.6 24.97 3.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -86.29 118.28 25.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.302 0.572 . . . . 0.0 111.143 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 p -135.55 160.12 68.96 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.521 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.3 Cg_endo -50.66 -41.06 55.07 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.557 2.171 . . . . 0.0 112.027 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -68.32 -43.29 77.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.465 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.26 -47.65 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.752 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -68.77 -39.43 80.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.967 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.669 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.3 tt0 -56.31 -41.56 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.979 0.419 . . . . 0.0 110.733 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.49 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.77 -39.22 17.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.45 -46.64 69.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.097 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.4 mmm -69.74 -34.64 74.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' B' ' 76' ' ' SER . . . -63.79 -34.6 78.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.501 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.2 t80 -71.98 -46.17 58.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.043 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.79 -35.95 77.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.45 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.7 p -76.14 -38.02 57.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.475 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.9 p -68.84 -37.64 79.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 0.0 110.791 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 110.119 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.46 -49.26 27.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.086 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.666 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -69.31 -32.52 71.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.49 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 76' ' ' SER . 17.7 mt -59.69 -48.47 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.82 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.2 57.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.644 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.7 t -96.48 -77.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -123.99 171.15 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -154.0 174.74 14.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.192 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.07 0.76 9.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.886 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.63 60.41 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.696 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.6 118.42 0.79 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.564 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 11.8 m -54.49 148.02 12.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.806 -172.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.534 ' HA ' ' HZ1' ' A' ' 93' ' ' LYS . 50.3 tp -58.38 -52.47 65.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.647 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 p -60.25 -34.7 74.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.949 0.404 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.564 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 32.6 m -64.25 -57.88 8.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.543 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 23.9 pttm -72.71 -15.97 61.68 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.3 m -66.45 -42.4 87.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.261 0.553 . . . . 0.0 110.083 173.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -73.01 -28.01 62.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.972 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.716 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.17 -47.23 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.162 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.27 75.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.119 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.5 m -63.53 -41.33 98.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.826 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -91.4 -19.96 22.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.0 -47.74 79.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.139 0.495 . . . . 0.0 109.997 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -64.84 -36.44 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.004 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . 1.7 t-20 -54.53 -57.97 9.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.708 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.43 57.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.493 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -65.33 -33.21 75.44 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 111.549 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.29 -13.77 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.631 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.54 -38.07 15.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.357 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -84.89 -69.79 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.1 p -93.04 -42.77 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.43 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.47 4.48 28.6 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.476 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.99 147.31 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.409 . . . . 0.0 110.25 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.79 123.79 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.2 114.37 18.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 64.3 tt0 -65.69 -47.67 65.87 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.6 Cg_exo -49.9 -42.02 45.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.003 1.802 . . . . 0.0 112.354 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.606 ' O ' HG12 ' A' ' 120' ' ' ILE . 34.9 t80 -53.13 -51.31 62.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.16 -37.99 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.86 -44.56 85.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -58.37 -41.3 84.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 116' ' ' PHE . 28.7 mm -60.59 -42.14 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -70.65 -25.31 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.899 0.38 . . . . 0.0 111.055 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -73.43 -33.2 64.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.72 -48.82 79.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.838 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.01 -39.59 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.5 t -79.57 1.32 26.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.877 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.404 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 27.3 ptm -113.59 -37.96 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.174 176.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.9 -23.57 67.4 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.56 77.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.483 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 1.5 mp0 -89.06 -13.22 39.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.65 18.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.23 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.61 13.24 83.16 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.677 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -89.01 12.7 14.77 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 122.102 0.953 . . . . 0.0 110.198 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.568 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER -100.28 -40.17 7.66 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.222 178.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -84.17 -47.36 10.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.997 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.3 m 40.04 34.58 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.473 1.109 . . . . 0.0 113.881 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.5 m 59.27 27.78 16.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.864 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.819 -179.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.473 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -88.87 83.1 6.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.441 0.639 . . . . 0.0 110.547 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.19 13.8 0.55 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -79.63 -19.46 49.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.089 -0.556 . . . . 0.0 111.298 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -83.77 84.95 7.38 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -87.1 149.18 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.231 0.538 . . . . 0.0 110.613 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -85.92 157.37 20.18 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.42 ' O ' HG22 ' B' ' 11' ' ' THR . 6.8 p -140.33 157.07 69.4 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -177.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.43 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 34.8 Cg_endo -66.19 -0.7 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.707 2.271 . . . . 0.0 112.978 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . 0.43 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 7.1 p90 -130.87 23.84 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.126 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.42 HG22 ' O ' ' B' ' 8' ' ' THR . 15.0 t -85.84 -11.85 52.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.724 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -144.29 150.09 47.08 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.81 -34.48 75.46 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.055 2.503 . . . . 0.0 113.017 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.3 -59.24 11.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.781 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.23 -37.76 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.666 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -71.41 -41.81 69.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.45 -29.24 69.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.15 -45.01 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.547 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.7 mmt -64.01 -44.75 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.877 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -63.03 -45.27 93.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.502 ' HA ' ' NE2' ' B' ' 25' ' ' GLN . 50.3 m -65.54 -29.7 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.557 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' B' ' 27' ' ' LEU . 70.3 t80 -73.79 -55.65 5.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.34 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.32 -34.95 77.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.53 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' B' ' 22' ' ' SER . 20.2 pt20 -65.44 -24.99 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.504 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.6 -35.27 5.97 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' B' ' 23' ' ' PHE . 53.8 tp -69.5 -30.81 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -73.17 0.89 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.085 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -117.81 11.86 13.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.623 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.7 mmt -97.94 149.95 36.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.69 160.71 40.69 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.972 1.781 . . . . 0.0 111.163 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.603 ' HA2' ' N ' ' B' ' 88' ' ' GLY . . . 100.71 -49.82 1.07 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.692 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.2 138.1 31.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.819 0.343 . . . . 0.0 110.28 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -98.33 165.08 12.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.39 72.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.747 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -72.4 -26.84 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 111.447 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' B' ' 41' ' ' MET . 97.7 mt-30 -85.19 -35.41 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.42 -31.93 73.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.351 0.596 . . . . 0.0 109.585 171.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.44 -32.45 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.246 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.03 -40.62 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.838 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 5.8 ptp -80.36 -28.84 37.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -63.03 -18.9 63.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.045 0.45 . . . . 0.0 110.71 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 m -66.45 -40.99 89.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.314 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.543 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 53.9 mt -75.25 -30.75 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.59 65.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.118 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.468 ' O ' HG23 ' B' ' 49' ' ' VAL . 0.9 OUTLIER -92.36 -27.02 17.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.724 -177.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.543 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 64.8 p -66.86 -36.94 83.46 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.175 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.523 ' O ' HG13 ' B' ' 52' ' ' ILE . 91.7 mmm -63.02 -46.24 88.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 5.7 m -70.51 -32.8 51.09 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.386 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.74 -38.93 92.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.425 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 69.0 m -68.37 -37.7 80.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.397 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 48' ' ' MET . 59.5 mt -56.62 -48.62 80.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.37 175.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 60.7 mm-40 -62.36 -40.58 96.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.298 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.9 m -65.62 -37.17 85.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.212 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 51' ' ' SER . 87.2 mt -68.04 -36.82 80.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.696 0.284 . . . . 0.0 110.64 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.63 -40.09 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.13 96.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.99 -56.49 6.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.48 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.84 46.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.347 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 23.11 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.997 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.09 149.49 25.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.411 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.9 p -167.51 162.11 10.14 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.55 -35.17 55.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.368 2.045 . . . . 0.0 112.029 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -68.32 -51.5 43.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.204 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -41.23 84.8 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.074 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.4 -34.8 63.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.087 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.568 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.1 tt0 -63.86 -42.6 97.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.407 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.666 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -59.96 -33.08 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.531 0.681 . . . . 0.0 110.758 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.28 -8.24 58.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.113 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 13.6 m120 -78.42 -48.52 15.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.429 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.36 -40.81 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.889 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 76' ' ' SER . . . -60.27 -27.69 67.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.075 0.465 . . . . 0.0 111.374 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.472 ' O ' ' HG2' ' B' ' 77' ' ' MET . 68.7 t80 -79.57 -43.93 22.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.206 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.48 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 23.7 p -73.45 -44.04 59.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 7.2 p -64.06 -36.48 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 110.776 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.529 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 28.0 mmt -65.11 -38.69 91.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.33 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.99 92.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.521 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -55.13 -53.56 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.712 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 76' ' ' SER . 27.1 mt -60.23 -45.55 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.34 90.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.851 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.69 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.257 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 34.4 t -84.37 -49.97 8.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.796 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.73 136.1 33.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -170.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -156.37 155.24 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.432 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.69 30.86 1.13 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.723 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.53 -34.04 0.29 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.603 ' N ' ' HA2' ' B' ' 32' ' ' GLY . . . -112.48 123.85 6.46 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.836 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.6 m -72.46 -176.72 1.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.613 0.245 . . . . 0.0 110.837 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.427 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.1 tp -55.14 -36.3 65.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.345 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.5 m -66.27 -23.35 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -98.99 -52.14 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.633 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 56.7 pttt -64.78 -25.52 67.96 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.5 m -66.47 -39.4 88.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.523 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.0 t -71.25 -33.35 69.75 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.384 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -58.03 -42.32 85.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.07 -45.59 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.828 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.32 -43.22 88.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.04 0.448 . . . . 0.0 111.39 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.7 t -72.92 -25.51 61.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.558 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -82.63 -36.79 25.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.889 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.39 -42.15 98.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 0.0 110.368 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -69.66 -40.43 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.637 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.558 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER -72.74 -23.25 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.999 -178.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.6 m-85 -67.36 -27.79 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.46 -15.58 61.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -88.97 -46.31 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.36 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -75.51 -66.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.186 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -96.55 -44.39 7.18 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.542 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.11 -6.24 17.42 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.766 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.8 p -125.68 151.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.19 126.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.778 0.323 . . . . 0.0 111.081 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -81.84 94.93 7.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -62.59 -42.97 82.49 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -46.3 -46.68 16.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.06 1.84 . . . . 0.0 112.271 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.638 ' O ' HG12 ' B' ' 120' ' ' ILE . 68.2 t80 -56.16 -52.08 65.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.414 176.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.5 mm -57.71 -41.76 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.089 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.65 -43.68 92.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.264 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -66.93 -28.47 68.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.012 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.638 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -61.82 -41.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.256 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -61.45 -30.41 70.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.698 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -74.53 -35.66 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.07 -51.94 67.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.35 -32.97 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.277 0.561 . . . . 0.0 110.937 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 8.8 t -86.82 -26.88 23.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.759 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -78.56 -37.31 43.02 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.624 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -67.08 -20.97 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.104 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.93 78.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.582 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -76.08 -25.79 55.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.373 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.88 3.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.18 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.56 29.0 73.97 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.451 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -84.17 12.33 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.669 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -88.79 -35.54 16.59 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.084 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.384 -176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 20.6 m 42.33 31.59 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.832 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.7 t 61.91 29.78 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.764 0 CA-C-O 118.614 -0.707 . . . . 0.0 110.784 -179.566 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.937 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -83.38 153.3 24.62 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.42 58.39 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -110.68 19.57 18.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.152 0.501 . . . . 0.0 110.624 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -79.13 82.14 5.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.473 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -112.31 -178.13 3.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.92 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 120.64 10.54 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.651 -173.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' HG21 ' A' ' 11' ' ' THR . 12.1 p -134.4 163.28 52.32 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.406 175.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.31 -23.72 56.08 Favored 'Trans proline' 0 C--O 1.224 -0.207 0 C-N-CA 122.038 1.825 . . . . 0.0 112.309 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.437 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 23.8 p90 -111.21 16.87 20.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.104 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 8' ' ' THR . 14.5 t -74.41 -17.16 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -160.22 157.26 24.58 Favored Pre-proline 0 C--O 1.234 0.285 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.22 3.05 3.75 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.99 2.46 . . . . 0.0 113.147 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.34 6.81 59.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.981 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -131.2 -30.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.595 0.235 . . . . 0.0 110.781 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.59 67.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.065 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -37.56 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -61.68 -28.94 69.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.966 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.83 -32.94 72.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.599 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtt -85.56 -42.7 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 109.576 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -57.2 -46.42 82.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.739 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 m -64.88 -38.44 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.784 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 66.1 t80 -63.83 -52.77 58.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.6 mmm -57.66 -42.78 84.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.457 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -62.94 -44.67 95.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.66 90.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.557 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 51.2 tp -67.18 -31.95 72.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 0.0 111.266 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 t -65.9 -10.52 39.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.977 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 t -110.39 15.98 21.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.16 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.8 mmt -104.05 151.12 38.91 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.537 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 165.4 31.25 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 111.255 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.445 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 98.86 -39.32 2.78 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.783 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -90.84 165.0 13.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.947 0.404 . . . . 0.0 111.639 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -112.76 -169.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.448 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -34.91 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.019 0.438 . . . . 0.0 110.794 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -80.35 -35.18 35.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.565 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -78.6 1.34 22.99 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.932 0.396 . . . . 0.0 111.511 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.17 -18.71 19.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.01 170.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.05 -52.79 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.561 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -47.36 85.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.98 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.9 ptp -65.29 -36.74 85.01 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.2 m -66.73 -25.77 66.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.432 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 35.0 m -66.31 -47.74 72.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.105 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.37 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG11 ' A' ' 49' ' ' VAL . . . -52.88 -52.81 56.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.112 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -70.44 -18.53 63.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -177.436 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' B' ' 51' ' ' SER . 48.9 m -75.38 -41.68 55.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.436 176.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 72' ' ' ALA . 82.5 mmm -73.09 -38.1 66.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.684 -177.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 19.3 m -69.68 -39.82 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.538 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.9 -34.86 64.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.0 p -66.79 -45.67 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 110.401 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.4 -44.46 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.84 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 78.8 mt-30 -61.36 -42.93 99.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -64.38 -40.17 95.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.408 . . . . 0.0 110.54 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 51' ' ' SER . 59.3 mt -66.87 -37.86 85.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.097 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.13 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.39 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.43 3.23 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.88 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.73 95.08 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.518 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 13.6 mmm180 -101.93 -1.47 31.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 -177.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 p -85.79 148.25 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.212 0.53 . . . . 0.0 112.137 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -150.48 151.07 30.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.65 -58.59 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.034 2.49 . . . . 0.0 113.179 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -62.09 -36.03 80.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 0.0 111.602 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.499 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 17.6 ttpt -73.59 -29.77 62.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.917 -176.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.39 -32.72 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.238 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.56 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.0 tt0 -65.16 -42.14 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.98 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.451 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.61 4.96 8.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 111.682 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 10' ' ' TRP . 5.3 m-80 -98.39 -46.35 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 84.1 mmm -60.81 -46.69 89.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.687 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HB2' ' HE2' ' A' ' 48' ' ' MET . . . -51.91 -39.62 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.387 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.3 t80 -68.95 -49.51 57.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.256 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.74 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.636 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 50.4 m -63.21 -54.64 34.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.558 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 66.2 m -61.53 -30.27 70.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 24.7 mmt -66.58 -33.43 75.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.1 0.476 . . . . 0.0 109.836 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -46.96 43.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.948 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 75' ' ' SER . 67.7 mt-10 -53.93 -52.61 60.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 76' ' ' SER . 20.4 mt -58.72 -44.79 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.085 0.469 . . . . 0.0 111.332 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.62 84.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.399 0.619 . . . . 0.0 111.076 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.5 -2.06 48.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.676 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -78.85 -73.95 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.981 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -113.87 153.24 29.52 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.729 0.776 . . . . 0.0 111.628 -175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -112.51 167.12 10.71 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.364 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.15 -57.14 0.19 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.929 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.81 -26.99 13.36 Favored Glycine 0 CA--C 1.509 -0.321 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.886 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.445 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -169.18 150.31 15.26 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 p -55.34 157.84 3.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.503 -170.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.36 -52.84 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.353 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.53 -39.49 88.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.517 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -60.42 -51.88 67.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.348 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -75.95 -10.77 59.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.76 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -69.14 -44.55 72.08 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.7 t -63.74 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.071 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.3 m -56.25 -46.69 79.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.3 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.08 -47.16 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.682 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.45 90.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -67.08 -35.32 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.1 -39.13 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.33 -52.35 65.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -58.44 -48.32 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -54.45 -39.18 67.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.656 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.13 -28.99 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.568 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 48.9 m-85 -70.71 -35.86 72.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.197 0.522 . . . . 0.0 110.445 178.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.54 -17.11 60.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.547 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.9 mm-40 -86.79 -30.81 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 p -92.97 -68.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.636 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.7 p -87.91 -38.15 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.423 . . . . 0.0 111.1 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.17 12.61 31.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.568 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.0 p -153.59 150.16 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.68 131.94 66.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.93 125.14 41.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.805 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.51 -44.24 91.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -43.08 -48.11 8.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.515 2.143 . . . . 0.0 113.65 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.526 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.0 t80 -59.7 -45.67 91.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 110.73 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.19 -36.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -74.63 -20.94 59.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -36.9 63.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 174.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 116' ' ' PHE . 43.1 mm -66.05 -36.02 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.341 -175.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -63.48 -37.27 86.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.688 0.28 . . . . 0.0 111.142 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.71 -36.87 85.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.493 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.27 -52.84 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.672 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.68 -38.83 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.087 0.47 . . . . 0.0 110.8 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -68.92 -46.91 67.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.561 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.451 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 26.0 ptm -65.86 -43.73 87.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.493 -175.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -67.32 -24.98 65.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.619 0.247 . . . . 0.0 110.922 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.38 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 0.0 110.901 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 2.8 mt-30 -78.73 -30.06 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.22 -61.85 1.65 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.942 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.13 39.77 92.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.397 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -79.32 8.15 6.59 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.767 0.794 . . . . 0.0 111.257 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER -96.01 -35.16 11.5 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.599 175.185 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 -44.35 11.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.767 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 25.7 m 40.12 38.76 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.424 1.09 . . . . 0.0 113.746 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 27.49 15.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.815 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.507 179.408 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -120.87 155.27 34.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.302 . . . . 0.0 110.264 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.92 158.36 24.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.034 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -132.02 101.4 5.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -72.89 99.09 2.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.347 0.594 . . . . 0.0 110.772 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -132.33 -168.83 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.269 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -100.69 150.24 22.95 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.422 ' O ' HG21 ' B' ' 11' ' ' THR . 12.0 p -144.33 156.92 57.24 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 -177.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.441 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 43.9 Cg_endo -70.58 5.73 1.89 Allowed 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.404 2.069 . . . . 0.0 112.859 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . 0.441 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 15.1 p90 -138.87 21.35 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.969 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.422 HG21 ' O ' ' B' ' 8' ' ' THR . 10.1 t -68.88 -20.39 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 111.465 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.493 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 13.6 p30 -159.34 159.34 28.59 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 8.2 Cg_endo -50.46 -23.21 10.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.762 2.975 . . . . 0.0 114.554 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.75 -18.15 64.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.645 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.04 -32.4 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.81 0.338 . . . . 0.0 110.207 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -72.09 -36.05 69.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.441 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.75 -41.22 86.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.6 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.2 mtt -66.99 -47.6 71.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.564 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -61.21 -42.77 99.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.353 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.1 m -62.41 -36.46 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.741 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.466 ' CE2' HD22 ' B' ' 27' ' ' LEU . 78.3 t80 -67.62 -52.49 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.674 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.491 ' HE1' ' OG ' ' B' ' 42' ' ' SER . 76.8 mmm -57.51 -46.44 83.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.616 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -57.49 -43.0 83.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.965 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.29 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.568 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.466 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -66.79 -29.97 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.408 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -63.83 -12.9 40.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.547 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -111.84 11.59 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.431 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 23.3 mmt -95.86 152.27 38.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.812 -177.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.15 155.02 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.384 2.056 . . . . 0.0 111.309 174.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.452 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 105.22 -31.04 8.95 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.294 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' B' ' 27' ' ' LEU . 68.8 m-85 -101.21 143.81 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.056 0.455 . . . . 0.0 111.142 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.2 p -90.03 173.06 8.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.628 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.02 89.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.542 ' HA ' ' OD2' ' B' ' 39' ' ' ASP . 64.1 m -88.44 -5.38 58.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -173.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -84.14 0.36 48.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.35 -20.68 17.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.392 170.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' B' ' 36' ' ' SER . 8.8 m-20 -65.75 -51.49 58.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.799 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -49.6 75.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.375 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 9.5 ptp -69.36 -32.83 72.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.491 ' OG ' ' HE1' ' B' ' 24' ' ' MET . 69.2 m -66.32 -31.98 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.346 176.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 47.3 m -63.68 -41.37 98.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.191 0.52 . . . . 0.0 109.76 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.51 -42.95 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.434 ' O ' HG12 ' B' ' 49' ' ' VAL . . . -50.67 -51.89 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.449 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -15.94 62.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.725 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -82.37 -39.37 22.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.082 0.467 . . . . 0.0 110.153 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.438 ' HE1' ' HB1' ' B' ' 72' ' ' ALA . 74.1 mmm -64.15 -46.69 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.421 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.434 HG12 ' O ' ' B' ' 45' ' ' ALA . 17.8 m -61.06 -41.26 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' B' ' 53' ' ' GLN . 47.4 mt-30 -69.1 -37.27 78.3 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.635 0.255 . . . . 0.0 111.613 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 89.7 p -65.04 -36.98 86.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.91 0.386 . . . . 0.0 110.304 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.414 HG22 ' HB3' ' B' ' 13' ' ' PRO . 73.3 mt -67.28 -42.8 88.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' B' ' 50' ' ' GLN . 80.2 mt-30 -61.39 -34.76 75.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -71.08 -36.62 72.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.304 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 51' ' ' SER . 83.0 mt -63.6 -34.7 78.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.43 85.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.709 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.2 79.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.927 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.69 -22.9 56.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.222 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.91 45.49 5.4 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.272 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.482 ' O ' ' HE3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -134.3 31.41 3.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 111.213 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -87.2 122.71 31.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.679 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.5 m -132.75 157.19 78.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -54.64 -57.9 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.643 2.228 . . . . 0.0 112.646 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.18 -29.47 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.482 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 4.3 tppt? -71.0 -41.19 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.648 -178.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.56 -38.74 77.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.243 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.5 tt0 -61.79 -34.03 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.679 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.61 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.16 -14.03 51.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.793 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.88 -48.29 54.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.499 ' HB3' ' OE2' ' A' ' 79' ' ' GLU . 79.5 mmm -65.82 -42.55 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.49 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.455 ' HB2' ' OG ' ' A' ' 76' ' ' SER . . . -50.92 -42.04 59.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.115 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' B' ' 77' ' ' MET . 23.1 t80 -63.15 -50.97 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.588 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.42 -33.12 73.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.589 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -74.84 -46.0 39.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 14.6 t -69.64 -37.57 76.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.153 -177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.502 ' HG2' ' CE1' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.86 -7.6 49.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.443 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.42 -48.43 7.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.644 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.431 ' H ' ' HG3' ' B' ' 79' ' ' GLU . 0.1 OUTLIER -64.94 -35.62 81.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.126 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.57 -46.38 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.585 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.1 -1.2 24.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.785 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 60.4 m -86.07 -73.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 111.673 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.83 148.48 29.49 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 122.245 1.021 . . . . 0.0 112.584 -172.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -114.68 166.19 12.0 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 113.683 -1.598 . . . . 0.0 109.262 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.79 14.03 0.11 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.804 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.87 -38.31 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.192 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.452 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -173.36 143.89 7.44 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -48.72 158.4 0.31 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -168.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -56.16 6.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.193 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -62.22 -33.3 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.268 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 16.8 m -59.89 -50.43 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.873 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -77.15 -23.75 51.61 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.701 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 69.9 m -61.22 -45.12 95.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 109.996 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 18.2 t -65.12 -38.63 91.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.039 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' SER . . . . . 0.431 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 54.6 m -58.23 -46.93 85.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 177.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' B' ' 101' ' ' MET . 46.8 mt -61.25 -47.61 92.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 110.489 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.7 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.304 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -69.51 -34.73 74.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.81 58.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.631 0.253 . . . . 0.0 110.942 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 24.2 mmt -62.32 -49.46 75.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.651 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -63.12 -35.66 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.644 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.1 t30 -61.84 -42.65 99.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.971 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.42 80.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.536 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.588 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 28.8 m-85 -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 0.0 110.796 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 -18.21 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.061 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.644 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.9 mm-40 -85.15 -38.57 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 -74.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.8 t -92.08 -30.4 16.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.506 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.95 14.34 23.13 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.636 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -152.3 149.59 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.34 134.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.288 0.566 . . . . 0.0 112.147 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -93.71 109.28 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.842 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.612 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 66.9 mt-30 -67.26 -38.84 17.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 2.6 Cg_endo -47.43 -44.0 25.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 122.009 1.806 . . . . 0.0 111.923 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.676 ' O ' HG12 ' B' ' 120' ' ' ILE . 60.1 t80 -60.02 -53.55 56.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.173 176.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.12 -42.08 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.62 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.85 -43.22 84.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.6 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.21 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.676 HG12 ' O ' ' B' ' 116' ' ' PHE . 37.9 mm -63.69 -41.48 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -177.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -60.34 -32.29 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 111.106 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -70.84 -37.36 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -58.04 -52.92 63.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.852 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.47 -44.34 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 110.574 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -68.1 -44.75 75.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.458 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.8 ptm -66.99 -37.76 84.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.166 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.04 72.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.042 0.449 . . . . 0.0 110.562 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 3.0 mt-30 -78.84 -27.33 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.826 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.21 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.15 15.05 64.77 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.385 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -78.57 10.41 3.23 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.302 0.573 . . . . 0.0 111.235 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.56 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 5.2 p30 -101.48 -48.08 4.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.787 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.63 -42.63 16.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.87 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m 40.09 34.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 124.686 1.242 . . . . 0.0 113.638 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.2 m 58.76 31.68 21.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.805 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.457 -0.783 . . . . 0.0 109.888 175.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 p -85.09 54.54 3.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.367 0.603 . . . . 0.0 110.132 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.32 13.08 3.78 Favored Glycine 0 CA--C 1.507 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.565 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.11 -56.08 4.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.089 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -155.48 105.67 2.47 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -119.37 -51.14 2.31 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -150.61 141.49 22.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.491 170.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 11' ' ' THR . 31.7 p -143.54 161.27 47.78 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.486 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.23 10.27 0.33 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.74 2.293 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.429 ' H ' ' C ' ' A' ' 8' ' ' THR . 27.8 p90 -138.9 10.86 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.639 0.256 . . . . 0.0 111.266 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 8' ' ' THR . 15.0 t -74.16 -18.11 60.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.249 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -152.86 156.0 32.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.536 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 -31.61 83.67 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.644 2.229 . . . . 0.0 112.855 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.87 -50.05 67.22 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.094 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 18' ' ' ASN . 95.9 mt -73.72 -27.74 61.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.647 -0.325 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -48.36 82.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.234 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.32 -29.55 47.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 1.2 t-20 -54.8 -45.19 74.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.98 -43.1 77.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.692 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.0 mtt -70.1 -47.46 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.628 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.7 m-80 -58.72 -48.27 81.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -63.43 -35.38 80.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CE2' HD22 ' A' ' 27' ' ' LEU . 85.6 t80 -62.96 -49.87 73.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.94 -34.07 76.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.8 mt-30 -55.59 -50.34 70.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.053 0.454 . . . . 0.0 110.574 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.85 -38.63 35.77 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.424 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 33' ' ' PHE . 26.5 tp -64.23 -31.74 73.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.712 0.292 . . . . 0.0 111.452 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 t -71.23 1.72 5.66 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -118.57 7.95 11.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.468 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -91.9 134.47 28.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.56 -17.24 26.72 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.008 2.472 . . . . 0.0 112.49 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.76 -16.46 74.35 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.079 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' A' ' 27' ' ' LEU . 42.6 m-85 -115.57 174.36 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.629 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 p -129.5 163.2 26.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.218 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -65.3 -48.78 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.332 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -70.76 -47.24 60.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.879 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.58 -42.13 82.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.358 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.42 -44.11 92.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.182 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.29 -41.26 41.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.435 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.4 ptm -72.46 -25.84 61.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -64.17 -26.11 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.246 175.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -63.88 -41.88 97.64 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.136 0.493 . . . . 0.0 109.932 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -71.95 -38.69 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.261 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.55 30.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.315 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.54 -23.75 60.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.547 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -68.14 -38.81 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.431 ' HE1' ' N ' ' A' ' 73' ' ' PHE . 73.7 mmm -64.43 -50.58 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.89 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 m -64.45 -35.01 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.519 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -71.87 -35.25 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.664 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.3 m -63.94 -42.52 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.765 0.317 . . . . 0.0 110.635 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 48' ' ' MET . 77.7 mt -56.15 -55.67 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.441 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.88 -30.68 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.658 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -67.81 -42.63 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.265 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -69.65 -30.08 67.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.758 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.13 72.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.805 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.69 -7.53 59.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.288 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.77 31.67 64.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.606 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -99.28 -6.68 27.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -79.01 135.3 36.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.34 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -135.19 151.51 75.27 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.1 -54.92 4.67 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.817 2.345 . . . . 0.0 113.218 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.04 -27.68 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -68.86 -41.62 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.255 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.0 -40.47 94.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.486 0.66 . . . . 0.0 109.547 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 30.7 tt0 -58.47 -44.25 89.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.039 176.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.59 81.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.717 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.18 -25.65 67.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -61.65 -40.48 95.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.4 mmm -73.74 -38.29 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.426 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -56.71 -42.34 79.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.195 0.521 . . . . 0.0 110.535 176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' N ' ' HE1' ' A' ' 48' ' ' MET . 87.8 t80 -68.45 -43.44 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.32 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.14 85.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.771 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 p -80.57 -42.48 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.727 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 80' ' ' ILE . 13.2 p -60.39 -34.56 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.23 0.538 . . . . 0.0 111.276 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.491 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 26.7 mmt -80.57 -13.39 59.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.885 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.62 -41.63 16.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.882 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.55 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 9.8 pt-20 -64.41 -42.99 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' SER . 15.7 mt -64.52 -31.32 53.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.543 0.687 . . . . 0.0 110.567 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.591 ' O ' ' HD3' ' A' ' 93' ' ' LYS . . . -79.31 -52.83 7.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.375 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.18 14.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.117 -0.947 . . . . 0.0 113.139 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.428 ' CB ' HD22 ' A' ' 133' ' ' ASN . 44.3 t -78.54 -67.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -174.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.22 152.43 44.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 112.033 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.05 -170.81 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.333 -174.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.63 -61.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.942 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.87 -48.26 1.39 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.088 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.49 174.22 20.14 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.737 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 39.9 t -91.87 178.83 5.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 90' ' ' LEU . 5.4 tt -60.52 -43.9 96.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 t -65.11 -19.63 66.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.483 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -83.06 -35.91 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.591 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 72.2 mttt -59.83 -48.73 80.5 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.786 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.4 m -55.44 -51.91 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.364 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -66.28 -34.68 78.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.544 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -60.41 -48.17 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.918 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.8 mt -67.67 -45.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.14 73.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.981 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.1 t -64.75 -37.09 86.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.95 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.33 71.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.576 ' SD ' HG13 ' A' ' 120' ' ' ILE . 42.7 mtt -69.34 -46.85 66.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.511 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 p -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 109.879 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -62.25 -45.35 93.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.873 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.25 76.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.675 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.05 -41.98 97.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.319 0.581 . . . . 0.0 110.501 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.85 -20.14 65.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.1 mm-40 -91.96 -25.94 18.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.718 0.294 . . . . 0.0 111.403 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 p -90.59 -64.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.371 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -90.74 -46.82 8.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.161 0.505 . . . . 0.0 110.621 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.39 3.28 10.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -154.78 149.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.65 123.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.631 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 1.9 m-20 -60.8 -28.72 68.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.593 -172.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.631 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 5.7 tt0 105.0 -67.95 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.24 0 C-N-CA 124.804 1.242 . . . . 0.0 113.806 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -55.66 -31.23 78.75 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 122.101 1.867 . . . . 0.0 113.466 -171.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.3 t80 -57.21 -44.67 83.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -69.74 -33.24 55.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.757 -175.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -62.95 -48.65 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.505 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.89 -31.76 72.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.947 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.607 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.7 mm -60.28 -35.66 63.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 58.1 p -61.46 -35.46 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.149 0.499 . . . . 0.0 110.858 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -72.25 -32.59 66.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.578 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 126' ' ' MET . 90.3 mt -63.31 -50.74 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.53 -32.46 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.929 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.8 t -86.8 -4.53 59.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.895 -174.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 26.8 ptm -102.16 -40.76 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.248 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -68.12 -17.08 64.27 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.689 0.28 . . . . 0.0 111.362 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.74 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.76 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.431 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.8 mp0 -83.38 -26.54 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.266 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.08 -69.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.955 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 51.06 43.37 49.84 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.39 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.5 13.02 9.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.681 0.753 . . . . 0.0 110.574 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.428 HD22 ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -91.7 -41.75 10.54 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.689 176.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -76.02 -46.64 28.36 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.886 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.4 m 39.67 86.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 O-C-N 124.725 1.265 . . . . 0.0 111.531 -175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.3 m -71.55 60.88 0.34 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.891 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.076 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.8 m -82.33 97.16 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 110.296 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.08 68.0 2.35 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.734 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -60.84 1.31 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.847 0.356 . . . . 0.0 110.133 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -128.25 91.86 3.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.029 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -129.35 -178.83 4.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -63.4 144.0 57.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.392 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.526 ' O ' HG22 ' B' ' 11' ' ' THR . 4.7 p -145.41 155.26 53.75 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.605 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 42.2 Cg_endo -69.8 6.43 1.33 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.351 2.034 . . . . 0.0 113.357 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 16.1 p90 -134.96 15.24 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 111.405 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.526 HG22 ' O ' ' B' ' 8' ' ' THR . 11.3 t -81.6 -8.96 59.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -155.93 147.48 16.94 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.959 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 55.8 Cg_exo -53.29 -35.49 74.59 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.264 2.643 . . . . 0.0 113.008 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.7 87.15 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.995 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -83.6 -35.3 24.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.646 -0.326 . . . . 0.0 110.451 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.23 80.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.343 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 6.4 pt-20 -73.19 -36.08 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.864 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -37.05 76.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.9 -45.3 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.221 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.0 mtt -76.5 -37.02 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.456 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -58.11 -57.04 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.432 177.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.442 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 8.0 t -69.93 -23.74 63.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.65 -50.16 74.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 93.4 mmm -66.23 -33.98 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 96.0 mt-30 -59.29 -48.58 81.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 110.031 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.83 72.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.367 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.428 HD11 ' CE1' ' B' ' 33' ' ' PHE . 19.9 tp -64.77 -34.42 78.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.638 0.256 . . . . 0.0 111.051 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -67.24 -9.22 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -112.05 17.3 19.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -103.97 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.326 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 -19.48 23.39 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 122.888 2.392 . . . . 0.0 112.869 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.42 -16.2 80.76 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.28 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.428 ' CE1' HD11 ' B' ' 27' ' ' LEU . 48.2 m-85 -118.95 151.12 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.561 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 p -119.44 169.89 9.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.43 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.27 70.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -65.16 -45.47 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.419 . . . . 0.0 110.647 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -66.71 -47.35 72.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.574 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.49 -38.04 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.925 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.88 -43.27 77.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.894 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -82.11 -41.03 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.126 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.4 ptm -77.09 -23.25 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -64.34 -29.53 70.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.549 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -66.15 -39.92 90.17 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 110.172 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.39 -38.88 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.924 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.25 -51.1 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.439 ' O ' HG23 ' B' ' 49' ' ' VAL . 2.3 pt20 -75.66 -23.12 56.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.234 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -66.09 -40.68 90.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.91 -45.34 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.549 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 46' ' ' GLN . 8.9 m -66.67 -39.84 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.017 -178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -66.95 -33.33 75.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.519 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 69.4 m -63.03 -52.07 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.13 -52.05 55.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.917 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -175.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -73.36 -28.97 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' B' ' 60' ' ' ARG . 67.0 mt -76.43 -33.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.221 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.34 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.35 -15.49 63.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . 0.444 ' HB2' ' HG2' ' B' ' 60' ' ' ARG . 49.5 mt-30 -105.13 -6.96 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.96 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 29.56 63.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.323 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.466 ' HB2' ' HB3' ' B' ' 55' ' ' LEU . 11.1 mmm180 -91.28 -8.79 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -79.98 143.78 33.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.28 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -146.25 151.58 44.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.34 -53.9 6.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.104 2.536 . . . . 0.0 112.853 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.85 -32.5 73.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 111.193 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 7.1 ttpt -71.82 -32.04 67.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.535 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.35 -33.6 75.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.281 0.562 . . . . 0.0 109.733 174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.16 -35.49 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.55 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -67.38 -18.92 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.2 9.26 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.74 -48.23 4.36 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.415 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 94.4 mmm -66.56 -43.3 85.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 174.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 76' ' ' SER . . . -55.3 -31.82 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.97 -43.29 62.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.115 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.77 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.593 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -71.67 -42.52 67.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.043 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.405 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 7.8 m -71.16 -4.67 26.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.105 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 24.9 mmt -107.31 -6.52 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.009 0.433 . . . . 0.0 110.124 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.26 13.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.743 -175.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -74.72 -35.4 62.67 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.798 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mt -58.48 -45.71 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.31 -43.94 63.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.435 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.56 19.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' SER . . . . . 0.402 ' CB ' HD22 ' B' ' 133' ' ' ASN . 30.7 t -78.92 -60.23 2.46 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -170.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 155.9 38.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.577 0.703 . . . . 0.0 112.278 -170.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.9 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.183 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.58 -103.06 0.17 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.09 23.64 3.68 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.159 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.36 157.12 27.29 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.391 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 47.4 t -77.82 163.97 25.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.414 ' HA ' ' CE ' ' B' ' 93' ' ' LYS . 37.2 tp -59.77 -40.99 90.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.598 0.237 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -64.13 -39.65 94.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 m -64.17 -44.3 92.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.67 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 89' ' ' SER . 52.8 mtmt -61.67 -47.82 83.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.54 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.6 m -58.03 -46.15 85.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.146 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -68.54 -31.47 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.3 m -63.19 -46.13 88.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.686 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.22 -46.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.62 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.39 89.23 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.36 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -67.18 -42.23 84.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.472 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.495 ' SD ' HG13 ' B' ' 120' ' ' ILE . 51.2 mtt -69.47 -40.59 77.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -60.18 -37.42 80.14 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.7 t30 -62.48 -43.6 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.877 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.98 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.915 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.487 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.4 m-85 -66.34 -34.21 77.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 111.13 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.66 -17.53 59.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.6 mm-40 -86.37 -41.83 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.502 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.5 p -77.34 -73.54 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.845 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.6 t -91.9 -40.08 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.67 11.08 9.66 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.8 p -155.39 151.74 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.31 127.24 56.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.595 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 17.2 m120 -64.65 -41.08 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.791 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 10.5 tt0 102.88 -68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 125.399 1.48 . . . . 0.0 112.838 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.595 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 9.4 Cg_endo -50.98 -28.56 24.55 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.632 2.222 . . . . 0.0 113.427 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.458 ' O ' HG12 ' B' ' 120' ' ' ILE . 53.1 t80 -57.39 -48.15 79.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.994 0.426 . . . . 0.0 110.192 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.84 -31.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.093 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.38 -33.22 75.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.595 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.507 ' HA ' HE21 ' B' ' 122' ' ' GLN . 32.9 mm-40 -77.83 -23.44 48.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' B' ' 101' ' ' MET . 29.8 mm -71.66 -40.59 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 -175.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 13.3 p -61.36 -33.54 73.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 0.0 111.368 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.507 HE21 ' HA ' ' B' ' 119' ' ' GLU . 44.2 mt-30 -69.52 -37.18 77.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.11 -39.49 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 26.3 t -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 -178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.5 ptm -77.01 -36.97 55.93 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.706 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -69.94 -15.62 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.371 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.18 96.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.072 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.72 -24.41 44.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.549 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.305 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.74 36.37 49.1 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.17 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -84.58 9.85 12.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.47 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -93.84 -43.63 8.5 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.161 174.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.422 ' N ' HD21 ' B' ' 133' ' ' ASN . 22.5 t70 -79.27 -32.71 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.045 -178.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 135' ' ' VAL . 34.0 m 41.01 81.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.236 0 O-C-N 124.73 1.269 . . . . 0.0 112.499 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -76.4 57.64 1.21 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.003 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.022 -173.37 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -147.19 127.99 14.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.45 4.64 40.46 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -95.48 -39.22 10.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.604 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 p -117.08 122.17 43.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' HD1' ' C ' ' B' ' 137' ' ' ALA . 0.5 OUTLIER -153.14 167.67 28.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.076 -179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -130.54 152.5 49.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.954 0.406 . . . . 0.0 110.841 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 40.7 p -125.96 160.0 58.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.883 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.23 4.6 1.88 Allowed 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.686 2.258 . . . . 0.0 112.932 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -138.63 18.05 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.258 . . . . 0.0 111.611 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.433 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -84.11 -14.48 50.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 178.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.42 147.35 33.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.88 -34.72 92.5 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.102 2.534 . . . . 0.0 112.889 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.4 30.83 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.779 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.65 -30.37 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.41 -0.465 . . . . 0.0 110.741 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.0 -39.64 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.696 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -57.45 -37.5 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.78 -52.78 62.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.422 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 22.5 ptp -78.34 -27.4 47.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.422 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -67.43 -41.13 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.987 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 p -73.69 -34.69 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.283 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.33 -52.65 64.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.7 mmm -59.92 -40.75 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.605 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 -38.01 89.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.077 0.465 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.19 56.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.02 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.86 -29.55 68.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -68.22 -2.29 7.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 t -115.44 15.53 16.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 110.209 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -102.87 134.54 19.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.81 -25.79 60.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.084 2.523 . . . . 0.0 113.159 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' A' ' 93' ' ' LYS . . . -74.5 -4.05 68.52 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.665 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -124.74 155.44 39.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.578 0.689 . . . . 0.0 112.223 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.4 p -118.87 155.94 30.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.535 -177.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.61 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.028 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -65.37 -37.7 87.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.469 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.05 -32.09 23.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.9 mt -61.33 -36.59 80.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.509 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.66 -47.16 83.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.037 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' OD2' ' HG3' ' B' ' 65' ' ' LYS . 1.5 m-20 -71.41 -41.62 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.273 -176.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -75.98 -28.05 57.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 0.0 110.771 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -69.36 -26.97 64.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.2 m -65.9 -39.95 91.08 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 176.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 48' ' ' MET . 53.4 mt -66.95 -39.45 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.368 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -46.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -75.17 -14.98 60.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.481 -178.351 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.551 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 46.0 m -81.68 -35.34 29.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.445 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 78.0 mmm -70.07 -48.98 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.793 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 46' ' ' GLN . 32.1 m -64.56 -32.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 47' ' ' SER . 2.9 pt20 -69.27 -34.48 74.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -70.98 -39.93 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.095 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 81.0 mt -61.68 -48.68 87.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.68 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.07 -37.21 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.028 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -60.28 -43.38 96.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 0.0 109.673 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -38.27 90.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.79 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.72 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 24.5 mt-30 -90.48 -9.41 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.3 32.71 72.32 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.265 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 54.5 mtp180 -111.05 23.48 14.07 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -177.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.2 p -77.7 136.51 38.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.747 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 m -143.64 147.6 39.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.25 -48.83 18.71 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.716 2.277 . . . . 0.0 112.694 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.22 -45.3 77.22 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -56.67 -36.25 69.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.177 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.12 -40.2 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.828 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.639 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.5 tt0 -65.7 -37.48 86.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.787 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.79 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.074 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.36 -29.79 22.68 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.98 -53.76 53.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.455 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.7 mmm -70.88 -30.39 66.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.227 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' HB1' ' HE3' ' A' ' 48' ' ' MET . . . -60.06 -45.24 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 77' ' ' MET . 90.3 t80 -62.13 -49.51 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.481 177.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.79 75.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.667 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -75.61 -38.52 58.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.424 ' HG ' ' HB1' ' B' ' 72' ' ' ALA . 47.8 m -61.59 -38.79 88.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.889 0.376 . . . . 0.0 110.8 175.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -66.15 -34.37 77.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.311 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.99 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.215 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.54 -58.1 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.07 -34.92 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.199 0.523 . . . . 0.0 111.136 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.75 -38.14 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.442 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.83 -29.32 44.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.25 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -74.98 -55.86 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.669 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 32.9 mt-10 -120.07 134.97 55.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.274 0.559 . . . . 0.0 111.003 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.88 -54.51 3.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.49 -174.345 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.52 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . 80.79 -106.59 2.56 Favored Glycine 0 C--N 1.299 -1.505 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.915 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.47 2.17 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.95 129.35 2.23 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.2 m -65.88 154.96 37.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 0.151 . . . . 0.0 110.73 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.14 -48.22 53.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.858 0.463 . . . . 0.0 111.098 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 m -60.42 -39.92 89.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -66.67 -39.74 88.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 89' ' ' SER . 26.6 mtpp -65.02 -40.16 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 m -60.45 -46.14 91.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -65.18 -35.77 82.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.473 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.2 m -60.25 -46.86 88.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.816 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.11 -44.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.892 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.53 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.554 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -67.97 -33.11 74.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.95 58.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.86 -48.4 76.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.687 0.28 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 p -64.17 -33.05 74.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.503 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.3 t30 -65.17 -40.26 94.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.44 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.352 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -67.19 -34.75 78.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 102' ' ' SER . 85.8 mt -71.83 -19.21 62.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.1 mm-40 -87.61 -36.85 17.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -86.58 -76.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.619 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.4 p -79.97 -43.42 22.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.59 2.69 24.15 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.5 p -155.21 150.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.577 -0.311 . . . . 0.0 110.3 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 114' ' ' GLN . 19.1 t -88.1 131.92 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 18.8 m120 -69.05 -16.84 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.534 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 57.7 tt0 102.17 -79.61 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 125.058 1.343 . . . . 0.0 113.521 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 113' ' ' ASN . 42.3 Cg_endo -64.39 -12.64 34.1 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 121.956 1.771 . . . . 0.0 113.572 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.2 t80 -62.04 -48.97 77.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.817 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.7 mm -66.97 -30.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.201 0.524 . . . . 0.0 110.586 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.7 -33.96 76.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.375 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.29 -33.47 20.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.658 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.6 mm -60.53 -38.02 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.1 p -66.29 -28.27 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 111.033 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -81.07 -30.48 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 126' ' ' MET . 92.2 mt -62.26 -50.54 71.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.69 -29.74 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.409 0.623 . . . . 0.0 109.897 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 t -84.76 0.23 51.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.932 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 27.3 ptm -110.65 -40.68 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.396 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -65.62 -25.49 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 111.125 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.99 89.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.694 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.426 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.2 mp0 -82.0 -23.41 36.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.352 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.37 43.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.14 25.46 66.39 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.642 -0.708 . . . . 0.0 113.826 173.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -82.46 10.97 6.14 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.862 0.839 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.562 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER -93.49 -37.71 11.79 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.051 176.15 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.35 -41.56 19.86 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.206 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.4 m 39.3 86.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 O-C-N 124.919 1.387 . . . . 0.0 111.783 -177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 m -71.19 60.23 0.27 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.017 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.573 179.614 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -147.68 178.69 8.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.02 -17.69 58.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.756 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -58.69 -64.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -87.37 97.66 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -116.18 153.77 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.08 0.467 . . . . 0.0 111.757 -173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -118.45 161.6 19.72 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.539 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -135.62 151.69 74.87 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.25 5.15 1.27 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.612 2.208 . . . . 0.0 112.946 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.41 19.56 3.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.651 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.5 t -76.14 -21.36 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.408 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 33.1 p30 -146.28 156.89 49.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.823 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 12.4 Cg_endo -56.85 -32.05 90.8 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.698 2.265 . . . . 0.0 112.85 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.06 -56.64 23.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.92 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.12 -29.39 66.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.61 -0.347 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.81 80.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.442 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 7.7 pt-20 -73.74 -26.71 60.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 111.204 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.87 -25.63 67.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -58.48 -59.29 5.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.058 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.442 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -77.19 -19.98 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.062 -176.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -41.24 80.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.762 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 p -79.07 -30.97 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.454 ' CE2' HD21 ' B' ' 27' ' ' LEU . 83.7 t80 -57.8 -55.31 36.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.41 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.89 -36.93 77.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.691 -0.232 . . . . 0.0 111.515 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.47 -43.91 93.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.82 -36.9 46.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.269 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.454 HD21 ' CE2' ' B' ' 23' ' ' PHE . 28.8 tp -65.35 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -66.15 -6.3 12.91 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.592 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -112.25 9.53 20.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.008 0.433 . . . . 0.0 110.137 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -96.17 142.65 24.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.043 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.33 -20.54 16.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.034 2.489 . . . . 0.0 112.804 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.51 99.81 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.12 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.58 156.52 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.842 0.353 . . . . 0.0 111.191 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.571 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 69.8 p -112.51 167.06 10.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.61 78.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.451 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 21.1 p -64.28 -39.86 94.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.571 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 11.7 mm100 -82.73 -36.77 25.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 110.512 -175.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.432 HD22 ' SD ' ' B' ' 41' ' ' MET . 84.9 mt -62.26 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 177.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.6 -27.61 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.067 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.78 -46.77 11.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.267 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.432 ' SD ' HD22 ' B' ' 38' ' ' LEU . 9.9 ptm -71.3 -20.07 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -174.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -63.56 -27.14 69.05 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.537 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 26.4 m -65.28 -47.54 76.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.965 0.412 . . . . 0.0 110.394 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.08 -34.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.442 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.06 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.326 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.7 OUTLIER -80.3 -20.33 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.501 -178.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' B' ' 50' ' ' GLN . 66.0 m -72.47 -41.52 65.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.917 0.389 . . . . 0.0 110.283 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.496 ' O ' HG13 ' B' ' 52' ' ' ILE . 87.9 mmm -62.53 -44.22 96.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -69.06 -34.45 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 47' ' ' SER . 2.8 pt20 -76.81 -31.35 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.817 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 66.6 m -68.0 -38.77 83.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 48' ' ' MET . 86.2 mt -62.21 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.966 0.412 . . . . 0.0 110.097 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.99 -37.06 85.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.3 t -62.68 -43.87 97.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.999 0.428 . . . . 0.0 109.894 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 51' ' ' SER . 90.2 mt -61.87 -37.56 85.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.4 -42.4 98.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.82 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.263 0.554 . . . . 0.0 110.782 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -82.0 -9.02 59.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.543 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.9 30.66 67.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.137 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -108.39 19.71 19.5 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.989 0.423 . . . . 0.0 110.693 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -83.22 124.15 30.26 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -146.32 149.76 38.92 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.98 -33.71 53.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.113 2.542 . . . . 0.0 112.472 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.28 -61.74 2.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.425 ' HG3' ' OD2' ' A' ' 40' ' ' ASP . 26.2 mtmm -65.17 -30.92 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.929 -176.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.53 -37.94 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.911 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.562 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.7 tt0 -70.46 -35.99 73.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.178 0.513 . . . . 0.0 109.947 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.91 -25.52 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.921 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.46 5.12 51.51 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.812 0.815 . . . . 0.0 109.594 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.68 -53.27 4.1 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.46 -37.41 87.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.581 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.426 ' HB3' ' HE3' ' B' ' 48' ' ' MET . . . -55.99 -39.03 71.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.358 . . . . 0.0 111.402 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.5 ' O ' ' HG2' ' B' ' 77' ' ' MET . 86.2 t80 -68.38 -45.8 71.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.052 0.453 . . . . 0.0 109.98 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.97 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.421 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.3 p -79.47 -33.45 42.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.4 t -63.94 -39.59 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.427 . . . . 0.0 110.12 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' B' ' 77' ' ' MET . 28.8 mmt -68.47 -29.02 67.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.78 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.682 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 83' ' ' SER . 2.4 tm-20 -57.93 -59.56 5.06 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.01 -45.86 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.12 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.808 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.85 -4.62 49.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.233 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -76.14 -53.86 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -176.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -119.23 -166.49 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -178.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.02 -163.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.452 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.31 -140.55 2.9 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -28.59 13.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.339 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.06 -149.95 19.51 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.139 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.9 m -96.14 173.57 7.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.11 -47.64 85.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -63.29 -27.99 69.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.787 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.5 m -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.019 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 52.0 mtpt -63.39 -37.96 89.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.5 m -56.75 -49.09 76.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -75.15 -27.95 59.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -59.24 -42.49 91.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 110.518 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' B' ' 101' ' ' MET . 67.1 mt -67.17 -47.62 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.173 177.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.77 85.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 8.6 t -65.46 -38.22 89.17 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 110.672 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.08 -32.78 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.705 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 22.2 mmt -63.02 -47.76 81.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -61.39 -30.52 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.606 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 4.0 t30 -68.94 -43.07 75.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 176.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.5 84.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.623 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.4 m-85 -66.6 -33.7 76.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.411 . . . . 0.0 111.118 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.13 -21.25 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 80.6 mm-40 -82.48 -46.22 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.817 0.341 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -71.16 -75.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.864 -178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.7 t -92.69 -38.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.382 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.91 8.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.923 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.9 p -156.79 151.73 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.06 137.41 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.357 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.543 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 18.9 m120 -69.1 -33.62 73.8 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 119.547 -0.263 . . . . 0.0 111.574 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.557 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 43.7 tt0 103.42 -69.72 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 125.178 1.391 . . . . 0.0 113.204 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 25.8 Cg_exo -62.02 -28.39 80.41 Favored 'Trans proline' 0 C--N 1.364 1.388 0 CA-C-N 121.398 1.535 . . . . 0.0 112.56 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.629 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.4 t80 -54.2 -50.29 67.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.61 -40.78 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.91 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -65.93 -44.2 85.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.749 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.42 -35.76 80.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.579 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.629 HG12 ' O ' ' B' ' 116' ' ' PHE . 31.9 mm -62.02 -39.1 82.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 111.308 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 44.5 p -63.94 -32.97 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 110.524 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.78 -34.38 66.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.17 -58.8 6.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -58.34 -34.33 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.199 0.523 . . . . 0.0 110.41 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -65.11 -50.28 66.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.98 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 28.3 ptm -69.27 -34.31 74.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.461 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.92 -24.05 66.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.637 0.256 . . . . 0.0 111.404 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.8 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.302 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.437 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.36 64.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.96 25.43 69.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.436 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -103.88 18.02 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.449 0.642 . . . . 0.0 110.526 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.639 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -85.45 -50.07 7.58 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.987 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.84 -38.03 13.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.868 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' B' ' 137' ' ' ALA . 28.8 m 42.31 96.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.91 1.284 . . . . 0.0 114.115 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.5 p -79.29 33.95 0.24 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.399 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.135 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 112.284 -0.326 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -55.32 117.6 3.68 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.263 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.76 43.43 2.89 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.65 17.38 2.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.68 -0.76 . . . . 0.0 112.131 -171.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -79.96 80.92 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' B' ' 137' ' ' ALA . 98.3 m-70 -134.27 -163.65 1.4 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.089 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -120.57 143.16 48.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.196 0.522 . . . . 0.0 110.175 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' H ' ' HB ' ' A' ' 11' ' ' THR . 27.0 p -144.79 170.3 8.43 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.674 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.79 -1.96 6.84 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.492 2.128 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -133.71 23.17 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.747 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 8' ' ' THR . 11.6 t -68.36 -24.93 64.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.548 -177.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.425 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 5.8 p30 -150.76 157.01 36.21 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.611 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.5 Cg_endo -50.34 -37.78 51.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.279 2.653 . . . . 0.0 113.146 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.77 12.34 3.8 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 113.811 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.7 mt -128.75 -38.82 1.66 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.95 83.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.9 pt-20 -73.04 -36.87 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.856 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -68.51 -26.32 65.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.5 -45.28 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.022 0.439 . . . . 0.0 109.919 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 mtt -64.25 -46.08 85.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.603 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.4 m-80 -58.07 -49.37 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.756 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -62.51 -36.83 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.148 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.82 -52.64 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.55 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.457 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 22.3 mt-30 -71.38 -15.72 62.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.68 -41.51 2.69 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.096 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -65.06 -24.57 67.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.77 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 p -58.52 -23.46 58.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.428 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -114.43 26.74 9.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -96.87 139.34 21.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.517 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 -18.65 35.2 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.103 2.535 . . . . 0.0 113.155 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.98 -8.23 87.68 Favored Glycine 0 C--N 1.319 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.187 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -125.21 141.16 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 111.488 -175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.9 p -104.63 165.54 10.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.748 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.24 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -84.77 -35.33 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -68.05 -50.48 54.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.116 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.67 -38.65 78.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.122 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.98 -39.52 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.407 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -77.66 -41.51 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.354 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -78.9 -22.85 45.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -60.82 -15.85 34.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.14 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -63.03 -51.49 66.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 0.0 110.97 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.57 -23.82 28.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.936 -174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -42.38 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.71 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' HA ' HG22 ' A' ' 49' ' ' VAL . 11.8 mt-30 -89.16 -29.33 19.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.554 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -61.2 -40.95 95.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.96 -42.25 49.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.8 m -68.79 -36.55 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.391 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.51 -26.02 62.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.555 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 39.0 t -69.13 -46.78 66.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.674 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.63 -44.7 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.81 -35.24 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.186 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.3 m -66.96 -43.15 83.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.081 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.26 -35.24 80.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.733 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.28 94.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.745 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.37 65.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.688 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.03 -16.38 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.707 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 29.55 61.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.322 -0.466 . . . . 0.0 112.374 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -105.87 13.01 30.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 0.0 110.314 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.0 p -78.86 116.37 19.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.44 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 6.5 m -138.29 155.77 73.94 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 -176.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.82 -19.7 26.02 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.29 2.66 . . . . 0.0 113.535 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.44 ' OD1' ' HB2' ' A' ' 62' ' ' SER . 1.9 p30 -90.01 -46.66 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -46.39 80.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.03 -25.72 55.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.378 -176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' OE1' ' HB3' ' B' ' 133' ' ' ASN . 7.4 tt0 -66.55 -46.41 76.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.591 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.27 1.83 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.297 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.9 mt -112.89 0.64 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 171.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -86.81 -52.6 5.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.425 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 43.5 mtp -83.35 -22.09 32.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.337 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.83 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 0.0 110.421 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 77' ' ' MET . 85.6 t80 -70.82 -45.55 64.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.517 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.84 85.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.458 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.4 ' HA ' HD13 ' A' ' 123' ' ' LEU . 9.2 p -73.09 -40.22 65.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.026 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.712 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.522 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 30.8 mmt -67.23 -40.13 86.31 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.036 -0.415 . . . . 0.0 110.325 176.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.2 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.104 0.478 . . . . 0.0 109.802 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.513 ' OE2' ' HB2' ' B' ' 71' ' ' MET . 34.2 tt0 -52.82 -59.8 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.862 176.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.1 mt -58.7 -45.37 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.989 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.06 92.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.372 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.35 -17.56 56.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.231 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -65.73 -64.48 0.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -132.9 133.29 43.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.656 0.741 . . . . 0.0 110.609 -174.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.486 ' CD ' ' HZ3' ' A' ' 93' ' ' LYS . 7.5 tp10 -86.13 161.26 18.96 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.72 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.49 -28.75 0.12 Allowed Glycine 0 N--CA 1.437 -1.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.741 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.84 -59.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.417 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.13 22.35 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.401 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 16.4 m -53.68 151.37 6.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -170.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.16 -50.92 47.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -61.84 -34.79 76.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.967 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 6.4 m -68.46 -35.28 77.35 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.486 ' HZ3' ' CD ' ' A' ' 85' ' ' GLU . 58.8 mttp -60.31 -42.22 95.09 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.026 176.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -53.08 -51.21 62.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.974 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -70.19 -32.94 71.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -62.97 -50.19 71.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 101' ' ' MET . 56.5 mt -64.85 -41.78 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.414 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.71 78.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.301 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -64.36 -42.06 96.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.385 . . . . 0.0 110.219 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.636 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -66.11 -30.18 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.7 mmt -71.01 -46.97 61.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.979 0.419 . . . . 0.0 110.173 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 p -64.14 -33.49 75.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.901 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.636 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.2 p-10 -81.31 -25.02 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.343 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.13 72.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.815 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.602 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.1 m-85 -61.8 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.54 -19.93 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 68.1 mm-40 -84.41 -36.42 22.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.931 0.396 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 -75.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.141 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.0 t -88.75 -37.51 15.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.22 15.89 16.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.951 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.602 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -152.86 149.9 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.91 131.58 52.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.57 113.52 23.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.496 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.6 tp60 -65.54 -52.19 45.94 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -56.09 -33.62 90.45 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.073 1.849 . . . . 0.0 112.015 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.1 t80 -60.21 -52.86 63.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.192 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.1 mm -61.67 -33.9 59.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.834 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.25 -46.86 81.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 43.4 mm-40 -64.26 -31.87 73.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.4 mm -59.68 -36.05 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.226 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -66.39 -23.68 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 111.199 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.07 -39.39 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.431 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 75' ' ' SER . 91.5 mt -56.92 -53.31 59.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.329 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.05 -28.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 111.034 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -96.98 3.5 51.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.768 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -108.11 -41.06 5.02 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.337 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -65.01 -21.6 66.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 111.654 -176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.084 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.34 -22.36 41.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.666 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.46 -46.37 63.03 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.25 0.548 . . . . 0.0 110.624 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.83 7.23 74.82 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.845 170.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -80.97 -0.72 40.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 122.082 0.944 . . . . 0.0 110.464 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -29.23 14.43 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.574 173.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -85.83 -33.46 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.164 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.2 m 43.76 45.68 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.758 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.9 m 65.23 39.94 5.17 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.458 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.94 73.85 6.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.626 0.726 . . . . 0.0 109.883 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.91 31.6 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -90.42 -27.69 19.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.847 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -66.85 101.91 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.134 0.492 . . . . 0.0 111.517 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -114.87 162.05 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -75.78 148.26 38.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.5 p -140.85 157.79 66.7 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.72 -1.3 7.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.928 2.418 . . . . 0.0 112.054 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -130.85 21.73 4.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.327 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.1 t -66.81 -16.81 64.53 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.694 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -137.03 151.66 72.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.95 -35.25 70.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.223 2.615 . . . . 0.0 113.203 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.84 70.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.863 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.2 -30.69 66.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 0.0 110.703 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.17 82.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.28 -30.45 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.39 -39.52 83.63 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.785 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.0 -48.05 76.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.724 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.7 mtt -70.68 -44.08 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.565 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 30.4 m-80 -60.12 -47.13 87.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.818 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -64.55 -34.03 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' B' ' 27' ' ' LEU . 75.8 t80 -61.37 -51.04 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.747 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.25 -34.02 76.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.8 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 25.2 mt-30 -67.39 -25.62 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 111.202 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.21 -25.6 13.9 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.1 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -78.43 -28.05 46.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.861 0.363 . . . . 0.0 111.29 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -60.58 -27.12 67.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.555 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -99.14 9.06 44.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.778 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.9 mmt -85.69 132.17 45.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.246 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.96 -17.41 32.15 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.868 2.379 . . . . 0.0 112.578 -177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.569 ' O ' ' HG2' ' B' ' 93' ' ' LYS . . . -70.69 -12.79 70.95 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.762 -176.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.17 158.72 27.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.641 0.721 . . . . 0.0 111.516 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.574 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 22.7 p -111.23 160.36 17.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.021 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.35 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.722 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.1 m -66.76 -53.53 32.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.587 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.574 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 6.9 pt20 -75.53 -18.18 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.592 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 34' ' ' THR . 40.9 mt -63.73 -30.47 71.57 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.633 174.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.51 -44.49 82.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.985 0.421 . . . . 0.0 110.071 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' HA ' ' B' ' 37' ' ' GLN . 38.2 m-20 -57.83 -47.46 82.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.671 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.47 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 4.6 ptm -79.48 -25.82 41.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.335 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -66.4 -38.87 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.522 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.6 m -63.89 -49.38 72.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.301 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -65.26 -34.92 73.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.475 ' O ' HG11 ' B' ' 49' ' ' VAL . . . -49.74 -55.34 14.32 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.553 175.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.418 ' HA ' HG22 ' B' ' 49' ' ' VAL . 14.4 mt-30 -69.71 -31.89 70.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.524 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.555 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 46.1 m -61.19 -41.63 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 0.0 110.442 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 91.6 mmm -71.0 -45.57 63.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.952 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.475 HG11 ' O ' ' B' ' 45' ' ' ALA . 8.9 m -63.72 -37.09 78.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.9 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.43 -27.48 56.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.686 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -68.67 -37.54 79.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.33 -44.26 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.323 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.518 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 57.0 m -65.04 -39.64 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.66 -42.12 96.4 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.604 0.24 . . . . 0.0 110.611 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.97 95.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.591 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.64 -28.59 64.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.81 -8.78 58.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 28.11 60.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.915 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -133.37 65.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.44 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.02 121.87 46.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.086 174.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.453 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 3.7 m -137.76 160.38 65.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.877 -175.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 18.6 Cg_endo -53.92 -44.16 51.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.248 2.632 . . . . 0.0 112.476 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -80.08 -27.33 39.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.01 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.423 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 1.5 tppt? -68.11 -46.16 71.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.337 0.589 . . . . 0.0 110.068 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 64.0 mt -72.85 -28.2 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.02 -45.29 89.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.532 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.17 79.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.59 7.91 24.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.217 0.532 . . . . 0.0 110.34 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -94.69 -54.64 3.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.247 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.513 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 22.4 mtp -76.8 -25.93 53.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.492 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.26 70.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.336 0.588 . . . . 0.0 110.515 173.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.582 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.7 t80 -72.64 -43.82 62.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.573 174.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.84 92.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.437 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -70.86 -42.24 70.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -56.88 -40.82 76.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.571 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -66.19 -35.98 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.398 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.22 81.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.209 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 43.2 mt-10 -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.762 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.48 -46.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.079 0.466 . . . . 0.0 111.004 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.94 92.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.452 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.76 -13.57 59.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.984 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 10.7 t -71.79 -63.28 1.16 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.947 0.403 . . . . 0.0 109.994 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.66 127.09 36.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.567 . . . . 0.0 110.47 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 17.0 pt-20 -84.56 -36.86 21.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.814 0.816 . . . . 0.0 110.17 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.83 -113.65 6.07 Favored Glycine 0 C--N 1.299 -1.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 112.429 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.86 58.01 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -113.22 113.78 3.24 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.593 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 50.8 m -62.22 145.22 54.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.715 0.258 . . . . 0.0 111.54 -171.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.19 -51.21 8.35 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.51 0.724 . . . . 0.0 111.976 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -58.47 -39.7 80.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.983 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -67.3 -39.24 85.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 89' ' ' SER . 21.1 mtpp -62.43 -39.54 93.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.127 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -59.25 -47.54 84.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -68.23 -33.08 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.6 m -59.82 -47.02 87.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.7 -45.48 81.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.83 89.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.773 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -75.86 -17.94 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.34 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -90.54 -31.27 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.61 -45.47 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.61 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -59.56 -34.79 73.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.222 0.534 . . . . 0.0 110.673 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.4 t30 -59.56 -53.82 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.378 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.67 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.844 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.54 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 23.0 m-85 -65.2 -38.16 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.214 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.49 -14.43 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 73.1 mm-40 -89.57 -31.64 17.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.0 p -92.66 -78.68 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.864 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -84.81 -30.48 24.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 -176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.98 10.9 35.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.59 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -151.31 151.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 131.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.855 0.359 . . . . 0.0 111.193 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -87.35 105.72 17.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.661 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -58.54 -50.19 89.36 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.585 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 9.9 Cg_endo -53.47 -39.03 83.59 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.263 1.975 . . . . 0.0 112.469 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.609 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.7 t80 -59.72 -51.2 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.322 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.86 -37.66 72.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.88 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.72 -45.49 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.769 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.24 -30.64 71.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.896 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.609 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -62.25 -41.1 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.045 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -66.11 -28.07 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -74.0 -34.14 64.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.093 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.04 -50.72 70.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 t -59.54 -39.82 80.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.307 0.575 . . . . 0.0 110.141 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 27.5 t -63.87 -48.73 75.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.31 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.538 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 23.6 ptm -66.39 -44.81 82.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.561 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . 0.408 ' N ' ' HG3' ' B' ' 126' ' ' MET . 25.6 m-85 -65.72 -25.34 67.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.55 73.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.737 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.538 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.4 mt-30 -84.94 -25.02 28.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.683 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.95 -60.11 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.612 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.36 74.26 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.852 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -81.2 12.81 3.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.742 0.782 . . . . 0.0 110.987 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.474 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -104.81 -32.59 8.76 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.871 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.3 -54.78 3.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.091 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.2 m 40.28 31.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 124.619 1.199 . . . . 0.0 113.486 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m 53.98 31.8 14.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.916 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . 0.51 ' HB3' ' CD2' ' A' ' 6' ' ' HIS . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.562 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.254 -0.338 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -133.86 142.0 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.17 51.45 3.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.523 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.97 -11.75 15.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -74.58 110.32 8.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.021 176.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.81 -44.71 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -175.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.44 155.34 45.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 p -141.22 161.46 53.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.88 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.6 -11.46 23.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.624 2.216 . . . . 0.0 112.891 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 p90 -126.17 22.54 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -76.87 -14.84 59.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -146.33 148.14 33.54 Favored Pre-proline 0 C--O 1.234 0.282 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 11.5 Cg_endo -56.98 -33.92 96.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.88 2.387 . . . . 0.0 113.095 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.65 65.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.867 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.03 -33.4 70.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.651 -0.323 . . . . 0.0 110.808 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.94 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.863 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 15.3 pt-20 -75.37 -27.37 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.558 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 m-20 -67.47 -35.06 78.44 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -54.69 -35.14 63.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.492 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.44 -57.6 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.508 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.558 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 10.2 p30 -70.54 -38.61 74.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.097 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.8 m -63.12 -25.94 68.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 110.946 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CE2' HD22 ' A' ' 27' ' ' LEU . 70.7 t80 -78.83 -50.66 10.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.349 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.4 ' HE3' ' HG3' ' A' ' 41' ' ' MET . 89.8 mmm -63.36 -37.41 87.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.08 -175.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.9 mm-40 -57.18 -42.36 81.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.1 -37.8 24.19 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.278 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 23' ' ' PHE . 30.3 tp -68.49 -30.6 69.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.241 . . . . 0.0 111.411 -176.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -62.48 -23.32 66.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 p -104.81 15.18 28.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.343 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.9 mmt -96.63 148.41 34.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.6 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.85 160.3 43.64 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.328 2.019 . . . . 0.0 111.378 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.05 -41.87 2.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.418 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.7 m-85 -89.27 162.96 15.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -120.5 155.01 34.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.437 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -15.33 48.51 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -99.73 -27.26 13.74 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -76.24 -27.18 56.66 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.236 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 2.0 mm? -68.43 -36.37 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.092 178.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.16 -41.17 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 -175.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 17.0 t70 -70.16 -44.81 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.083 0.468 . . . . 0.0 110.002 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.458 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.2 ptm -74.38 -29.61 61.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.032 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -69.16 -25.08 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.472 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 m -74.98 -39.46 61.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 48' ' ' MET . 54.6 mt -62.98 -36.56 76.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.046 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -48.67 -57.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.277 175.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.5 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 13.5 mt-30 -70.08 -21.81 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.731 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -67.6 -35.92 79.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.474 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.4 mmm -74.91 -36.91 62.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.482 0.658 . . . . 0.0 109.339 175.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 41.9 t -62.77 -55.42 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.062 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.97 -20.24 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.162 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' OG ' ' B' ' 47' ' ' SER . 10.4 p -74.87 -38.1 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 48' ' ' MET . 80.0 mt -56.77 -47.73 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 172.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.19 -36.93 81.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.847 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 m -71.55 -29.18 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.341 . . . . 0.0 110.252 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.27 -42.04 76.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.25 68.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.992 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -80.5 -22.38 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.827 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.13 42.14 12.7 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.995 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HE ' HG21 ' B' ' 43' ' ' THR . 9.1 ptm180 -131.52 20.37 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.82 124.72 25.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.361 176.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 15.5 m -143.06 158.2 59.21 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 17.8 Cg_endo -54.29 -44.96 44.63 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.106 2.537 . . . . 0.0 112.131 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -71.91 -31.79 66.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.02 -174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -42.94 75.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 110.286 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.6 mt -68.26 -41.54 80.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.37 -54.71 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.084 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.97 -32.79 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.526 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.25 -30.82 67.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.786 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.1 -48.01 83.64 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.64 -36.74 70.82 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.704 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -57.76 -39.47 77.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.143 0.496 . . . . 0.0 110.267 175.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 77' ' ' MET . 70.0 t80 -67.63 -50.7 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.18 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.03 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.507 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 t -68.06 -45.53 73.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.452 ' O ' HG13 ' A' ' 80' ' ' ILE . 11.4 p -69.14 -35.95 76.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.911 0.386 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.4 mmt -65.02 -37.78 88.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.63 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.35 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 73.3 tt0 -58.75 -55.55 33.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 177.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 76' ' ' SER . 29.6 mt -58.35 -38.13 67.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.645 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . . . -68.77 -47.84 65.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.415 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -26.95 65.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.953 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' ND2' ' A' ' 133' ' ' ASN . 8.2 t -55.09 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.953 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -140.94 146.45 37.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.684 0.754 . . . . 0.0 112.17 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -98.87 -166.09 1.32 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.162 172.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -49.32 0.44 Allowed Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.573 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.6 9.6 73.63 Favored Glycine 0 CA--C 1.504 -0.644 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 85' ' ' GLU . . . 170.39 -179.43 42.53 Favored Glycine 0 N--CA 1.436 -1.338 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 m -77.38 167.56 21.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 117.134 0.467 . . . . 0.0 110.243 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.25 -46.66 79.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.45 85.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -58.09 -50.11 74.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 85' ' ' GLU . 7.7 ptmm? -82.97 2.36 35.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -86.88 -51.7 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -63.14 -31.0 72.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.671 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 t -52.94 -48.71 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.742 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.72 -45.83 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.01 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.648 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -72.15 -33.42 67.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.15 -31.11 30.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.326 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.2 mmt -60.46 -47.66 85.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.178 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 p -63.35 -33.54 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.676 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.3 t30 -63.77 -44.5 93.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.569 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.82 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.799 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.515 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 54.8 m-85 -68.14 -37.36 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.05 0.452 . . . . 0.0 110.961 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.53 -19.92 62.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.3 mm-40 -88.18 -23.21 23.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.953 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -94.93 -72.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.729 0.3 . . . . 0.0 111.73 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.9 p -89.64 -43.16 10.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.51 22.62 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.515 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 13.4 p -129.63 146.88 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.402 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.53 127.6 74.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -74.27 114.82 13.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.264 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 9.8 tt0 -56.63 -53.7 61.68 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.769 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.69 -37.95 84.27 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.346 2.031 . . . . 0.0 112.833 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.56 ' O ' HG12 ' A' ' 120' ' ' ILE . 56.7 t80 -57.36 -52.83 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.0 mm -59.49 -39.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.007 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.27 -42.91 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 15.9 mm-40 -70.25 -29.62 66.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.091 -174.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 116' ' ' PHE . 51.6 mm -56.09 -34.57 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.612 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -60.79 -33.15 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.55 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 119' ' ' GLU . 47.4 mt-30 -70.0 -32.5 70.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.98 -54.19 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.73 -38.45 75.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.221 0.534 . . . . 0.0 110.13 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.0 t -63.67 -48.91 75.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.499 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.6 ptm -68.57 -38.84 81.06 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -66.82 -16.76 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.462 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.27 95.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.793 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.1 mp0 -78.12 -27.78 48.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 178.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.61 -62.44 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.333 176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.28 4.33 50.07 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.747 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.73 5.19 22.19 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.675 0.75 . . . . 0.0 111.129 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -91.5 -44.06 9.32 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.608 175.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.26 -46.25 20.76 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.132 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.4 m 41.52 87.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.19 0 O-C-N 124.855 1.347 . . . . 0.0 112.122 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.2 m -70.75 54.95 0.17 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.959 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -178.275 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -92.25 75.47 5.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.112 0.482 . . . . 0.0 110.854 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.95 113.94 4.16 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.201 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.444 ' N ' HD21 ' B' ' 4' ' ' ASN . 0.9 OUTLIER -77.1 85.18 3.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.254 0.549 . . . . 0.0 109.749 178.58 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -81.13 103.41 10.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -70.01 -37.16 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.5 t -179.41 179.19 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.048 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.575 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.7 p -126.13 145.39 52.19 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.94 -15.62 50.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.7 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -122.02 25.65 8.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.575 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.0 t -75.38 -26.62 58.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -140.11 151.94 66.16 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 50.9 Cg_exo -55.11 -33.39 83.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.117 2.545 . . . . 0.0 113.138 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.74 -10.13 60.41 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.38 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -109.57 -33.63 6.73 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.91 0.386 . . . . 0.0 109.974 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.06 89.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.945 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -86.1 -16.63 37.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.203 -179.149 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.438 ' HA ' ' ND2' ' B' ' 21' ' ' ASN . 1.1 t-20 -61.97 -35.11 77.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 176.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -56.32 -40.91 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 175.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -61.73 -53.75 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.846 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.6 p30 -72.22 -37.48 69.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -174.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.8 p -68.21 -40.02 82.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.12 -49.77 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.644 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mmm -61.4 -39.94 92.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 76.1 mt-30 -64.39 -46.74 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.284 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.546 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -63.86 -44.71 95.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.257 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.462 ' HA ' ' CG ' ' B' ' 30' ' ' MET . 30.5 tp -65.68 -28.85 69.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -65.29 -15.56 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -111.64 13.43 21.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.281 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 24.5 mmt -101.69 148.73 35.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.268 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.96 151.76 35.67 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.292 1.995 . . . . 0.0 111.231 174.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 -16.09 49.68 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.726 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' B' ' 93' ' ' LYS . 47.3 m-85 -122.76 130.52 53.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.962 0.41 . . . . 0.0 111.21 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.0 p -88.12 156.21 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -10.65 15.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -94.2 -27.16 16.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.31 -35.94 30.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.473 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.09 -36.37 77.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.489 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.89 -42.45 98.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.148 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' B' ' 43' ' ' THR . 12.5 t70 -69.03 -44.7 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.034 -175.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.49 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 10.8 ptm -77.96 -25.58 48.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.277 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.5 t -65.35 -24.01 67.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 109.739 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 74.7 m -64.28 -43.01 96.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.43 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mt -69.47 -37.21 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.346 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -52.38 -59.15 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.905 0.383 . . . . 0.0 110.651 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -32.28 70.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.093 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.538 ' OG ' ' HB2' ' A' ' 51' ' ' SER . 8.0 t -65.26 -43.36 91.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.905 0.384 . . . . 0.0 110.027 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.42 ' HE3' ' HB3' ' B' ' 72' ' ' ALA . 75.8 mmm -72.65 -40.87 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.35 0.595 . . . . 0.0 109.59 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 45' ' ' ALA . 36.5 t -55.01 -46.52 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.808 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.85 -26.29 40.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.861 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 72.9 m -65.13 -42.98 93.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 173.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -57.36 -44.71 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.669 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.05 -32.91 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.3 m -69.63 -34.29 73.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.578 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.88 -38.22 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.226 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.2 91.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.412 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.45 83.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.14 -27.07 53.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.094 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.65 33.95 6.84 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.795 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 35.24 4.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.33 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.63 121.66 30.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.459 0.647 . . . . 0.0 111.064 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.4 m -128.39 150.36 74.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.78 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.76 -41.48 69.46 Favored 'Trans proline' 0 C--O 1.224 -0.216 0 C-N-CA 122.736 2.291 . . . . 0.0 112.435 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.41 -46.27 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.412 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.53 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 27.6 mtmm -62.42 -41.25 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.612 0.244 . . . . 0.0 111.376 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.86 -42.91 89.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.134 0.492 . . . . 0.0 109.807 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -56.37 -55.48 33.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.388 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.453 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -62.16 -31.64 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.457 -177.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 mt -68.43 -30.24 69.08 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.599 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.85 -44.42 93.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 97.0 mmm -74.6 -36.61 62.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.42 ' HB3' ' HE3' ' B' ' 48' ' ' MET . . . -56.55 -40.18 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 109.887 174.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.4 t80 -66.94 -47.94 70.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.465 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.81 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.492 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -67.13 -49.4 64.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.464 ' O ' HG13 ' B' ' 80' ' ' ILE . 6.7 p -64.78 -36.13 83.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 110.883 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.4 mmt -62.64 -37.17 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.208 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.65 80.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.663 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.709 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 85.6 tt0 -60.91 -50.63 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.118 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 76' ' ' SER . 22.2 mt -56.54 -40.53 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.46 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.47 55.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.154 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.75 -9.6 38.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.086 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' SER . . . . . 0.428 ' HA ' ' ND2' ' B' ' 133' ' ' ASN . 22.7 t -76.28 -72.8 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.513 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -147.91 -176.38 5.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.364 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -170.05 -174.49 1.78 Allowed 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.861 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.55 -76.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.859 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.66 17.18 10.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.111 -173.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.84 -149.85 24.42 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.675 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -154.96 156.49 36.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.21 -49.57 71.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.346 0.404 . . . . 0.0 110.853 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -61.75 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -57.35 -50.62 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.459 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 0.1 OUTLIER -76.03 -23.43 55.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.238 -173.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 86.1 m -66.58 -48.89 68.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.171 0.51 . . . . 0.0 109.719 174.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 t -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.112 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -65.06 -54.01 36.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' B' ' 101' ' ' MET . 68.5 mt -61.65 -41.01 88.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.04 80.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -36.78 84.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.586 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -70.8 -35.04 72.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.051 0.453 . . . . 0.0 111.098 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.8 mmt -66.14 -34.29 77.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.5 m -64.52 -43.72 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.655 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.2 p-10 -75.74 -26.51 57.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.664 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.63 93.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.008 178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.538 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 24.1 m-85 -67.04 -33.88 76.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.57 -19.09 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.224 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 71.0 mm-40 -86.46 -42.49 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.686 178.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -74.32 -73.39 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.837 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 30.0 p -87.03 -38.99 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.66 6.55 30.66 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.9 p -140.48 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.68 130.75 60.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.258 0.552 . . . . 0.0 111.167 -175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.544 ' OD1' ' HD2' ' B' ' 115' ' ' PRO . 56.8 t30 -87.81 113.2 23.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.742 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.433 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 27.5 mt-30 -61.47 -52.14 72.25 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.544 ' HD2' ' OD1' ' B' ' 113' ' ' ASN . 79.8 Cg_exo -47.66 -41.82 30.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 122.276 1.984 . . . . 0.0 112.625 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.595 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.3 t80 -60.54 -55.55 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.413 HG12 ' O ' ' B' ' 113' ' ' ASN . 42.6 mm -57.87 -39.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.994 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.75 -42.52 86.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.747 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 28.8 mm-40 -70.78 -26.02 63.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.595 HG12 ' O ' ' B' ' 116' ' ' PHE . 51.4 mm -61.83 -36.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 63.3 p -61.74 -34.56 76.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 0.0 110.837 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.56 -35.15 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.802 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.07 -55.41 34.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.377 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -39.2 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.522 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 16.5 t -67.99 -47.84 67.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.538 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -67.77 -35.53 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.01 -22.45 62.15 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.163 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.98 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.6 mp0 -79.25 -33.2 43.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.932 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.03 53.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.234 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.57 29.75 67.36 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.368 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.17 4.74 22.16 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 121.826 0.822 . . . . 0.0 110.792 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' B' ' 83' ' ' SER . 0.3 OUTLIER -87.69 -44.46 11.17 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 174.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.5 -39.7 17.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.492 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' B' ' 137' ' ' ALA . 34.5 m 42.16 85.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.383 0 O-C-N 124.657 1.223 . . . . 0.0 111.706 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.8 m -72.2 41.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.247 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.176 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m 62.51 98.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.382 0.61 . . . . 0.0 111.32 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.57 34.17 2.72 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -112.3 96.35 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -73.53 104.87 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.78 -44.51 66.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t -162.34 150.17 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.672 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 p -147.12 151.31 40.76 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.162 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.15 -33.14 91.38 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.279 1.986 . . . . 0.0 112.091 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -94.25 23.34 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.525 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -77.7 -16.48 58.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.358 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.72 147.18 22.08 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-O 120.537 0.208 . . . . 0.0 111.304 -176.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.39 -36.57 87.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.607 2.871 . . . . 0.0 113.628 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.13 -38.81 88.09 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.113 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -87.42 -29.52 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.697 -0.296 . . . . 0.0 110.732 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.47 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.16 -21.2 43.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -37.68 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.172 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -55.61 -43.91 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.5 mmt -64.46 -45.22 88.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -64.76 -45.37 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.239 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.587 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 16.2 p -74.04 -19.1 60.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' CE2' HD22 ' A' ' 27' ' ' LEU . 81.2 t80 -82.33 -57.85 3.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.8 mmm -63.52 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.343 -0.39 . . . . 0.0 112.038 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.587 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 25.9 pt20 -63.47 -28.46 69.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.388 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.55 -31.43 7.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.874 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CE1' ' A' ' 33' ' ' PHE . 40.5 tp -67.25 -30.11 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.196 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -69.84 -1.78 10.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 t -116.22 14.12 15.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 0.0 109.826 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.8 mmt -100.08 138.32 20.26 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.77 -12.5 22.03 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.121 2.547 . . . . 0.0 113.013 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.49 -12.34 80.22 Favored Glycine 0 C--N 1.316 -0.543 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.844 -175.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 27' ' ' LEU . 72.1 m-85 -122.02 164.83 17.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.181 0.515 . . . . 0.0 111.796 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 44.3 p -111.84 174.4 5.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.456 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.51 72.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.572 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -46.35 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.27 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.31 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.945 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.0 mt -64.19 -36.17 83.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.35 -51.09 70.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.069 0.461 . . . . 0.0 110.193 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 55.0 m-20 -60.8 -45.57 93.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.312 -176.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.518 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 6.5 ptm -79.7 -26.64 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.408 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -67.34 -32.72 73.87 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -64.77 -45.85 84.62 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.965 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 48' ' ' MET . 66.5 mt -64.56 -42.85 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.829 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.6 -54.27 12.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' O ' HG21 ' A' ' 49' ' ' VAL . 15.6 mt-30 -73.78 -30.83 62.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.58 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.477 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 8.9 t -61.55 -41.36 97.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.572 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -63.6 -48.66 76.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 46' ' ' GLN . 8.2 m -65.68 -33.29 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -76.85 -29.59 55.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.575 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.48 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 22.9 t -71.19 -38.05 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.956 174.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 48' ' ' MET . 78.7 mt -61.18 -43.18 95.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.11 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.04 -35.26 78.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.6 m -65.23 -40.36 93.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.501 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.38 -38.26 84.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.92 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.67 91.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.67 -27.14 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.123 0.487 . . . . 0.0 111.237 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -88.53 -3.14 58.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 34.07 75.35 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.094 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -131.87 49.33 2.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.348 0.594 . . . . 0.0 111.411 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 122.75 41.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.553 173.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -137.37 150.86 70.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.38 -42.97 52.42 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.911 2.408 . . . . 0.0 112.596 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.58 -51.01 71.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -67.43 -35.33 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.61 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.58 -41.33 72.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.486 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.44 -45.66 93.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.56 -33.87 73.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.981 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.68 -29.54 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.77 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.78 -47.47 85.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.414 ' SD ' ' CE2' ' A' ' 116' ' ' PHE . 96.0 mmm -75.52 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.36 -44.0 64.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.87 0.367 . . . . 0.0 110.137 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.4 t80 -68.17 -49.23 62.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.496 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.72 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.012 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 m -77.81 -30.76 51.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.525 ' HB3' ' HB1' ' B' ' 72' ' ' ALA . 10.3 p -88.26 4.57 45.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.05 0.452 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -97.14 -15.73 20.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 169.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.05 -53.16 8.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.963 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -70.85 -31.69 68.47 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.603 -177.262 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mt -57.19 -44.16 83.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.324 0.583 . . . . 0.0 109.509 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -69.27 -54.3 15.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.622 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.55 -49.45 64.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.676 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -57.72 -66.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.06 153.55 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.221 -168.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.26 -174.24 2.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.191 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.89 -133.75 4.06 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.042 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 1.9 71.42 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.49 115.88 3.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.08 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.9 t -69.98 172.4 7.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.23 -41.34 96.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -69.12 -36.75 77.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.301 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -66.32 -48.0 71.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.359 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.93 -33.96 76.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.143 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.7 m -67.59 -48.81 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.397 . . . . 0.0 111.038 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.8 p -68.93 -30.43 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.822 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -54.52 -53.39 55.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.792 177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.1 mt -65.87 -42.94 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.78 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.55 80.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.99 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.6 t -67.14 -35.62 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 0.0 110.715 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -78.24 -28.84 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.5 mmt -70.13 -35.78 74.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.293 0.568 . . . . 0.0 109.773 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.6 t -65.42 -39.9 92.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.165 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.1 p-10 -76.65 -23.33 53.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.92 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.72 90.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.915 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 45.4 m-85 -72.56 -29.99 64.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.731 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.66 -13.93 61.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.33 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 72.0 mm-40 -94.0 -40.73 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.687 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -74.3 -54.73 7.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.318 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 t -115.39 -27.28 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.498 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.62 31.55 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.503 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.6 p -153.27 151.88 10.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 p -125.82 132.42 70.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 0.0 111.003 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.38 120.01 20.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.311 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.406 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 25.1 mp0 -56.0 -50.41 87.46 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.161 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.2 Cg_exo -44.74 -47.89 11.1 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.345 2.03 . . . . 0.0 112.87 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 120' ' ' ILE . 64.7 t80 -54.67 -50.18 68.83 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.518 0.512 . . . . 0.0 111.261 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.07 -33.76 65.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.244 0.545 . . . . 0.0 110.26 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -73.79 -22.51 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 39.8 mt-10 -76.43 -47.43 23.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.313 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 116' ' ' PHE . 33.1 mm -60.19 -39.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.296 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -61.98 -27.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.096 0.474 . . . . 0.0 111.518 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -83.3 -29.55 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.66 -46.19 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.18 -38.19 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.052 0.453 . . . . 0.0 110.978 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -78.47 -41.34 32.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.877 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -63.29 -43.31 98.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.707 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.82 -30.22 71.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.622 0.249 . . . . 0.0 111.243 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.77 -39.75 91.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.171 0.51 . . . . 0.0 111.081 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.98 -24.38 28.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.924 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -57.03 14.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.08 33.11 27.29 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.029 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -76.68 1.14 17.87 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.261 1.029 . . . . 0.0 110.335 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -31.84 12.15 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.507 -1.679 . . . . 0.0 109.485 177.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.34 -50.88 6.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.129 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m 37.33 32.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 114.358 -1.292 . . . . 0.0 114.288 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.7 t 59.23 24.92 13.41 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.143 0.496 . . . . 0.0 111.399 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 -178.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -112.89 121.52 44.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.874 0.369 . . . . 0.0 110.025 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.68 38.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.982 -0.627 . . . . 0.0 111.786 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -82.54 108.37 15.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.841 0.353 . . . . 0.0 110.075 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -71.53 94.1 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -116.25 -70.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.353 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.73 126.59 50.57 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -152.07 142.63 15.21 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.903 167.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.4 -19.9 61.4 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -109.69 26.46 10.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.213 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -76.38 -15.86 59.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.264 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -150.21 152.38 33.41 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.597 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 12.1 Cg_endo -56.18 -36.6 96.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.821 2.347 . . . . 0.0 112.889 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.44 8.55 9.5 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.418 0.449 . . . . 0.0 113.855 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -125.03 -30.59 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.31 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.543 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -80.65 -33.3 35.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.696 179.291 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.57 -37.84 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.911 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -53.51 -43.01 67.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 mmt -61.45 -46.33 90.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 109.838 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -64.96 -44.13 90.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.507 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.6 p -67.69 -15.14 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.797 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.444 ' CE2' HD21 ' B' ' 27' ' ' LEU . 77.8 t80 -90.19 -51.31 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 110.644 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 94.3 mmm -66.47 -22.03 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.146 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -63.29 -34.53 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.66 -33.33 6.79 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.306 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' B' ' 33' ' ' PHE . 40.0 tp -65.62 -25.81 67.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.224 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -63.93 -17.18 62.98 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.5 m -122.08 32.77 5.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.959 0.409 . . . . 0.0 110.805 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.4 mmt -98.97 137.47 20.5 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.485 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.83 -26.9 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.009 2.473 . . . . 0.0 113.595 -174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.31 82.6 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.991 -0.624 . . . . 0.0 114.191 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' B' ' 27' ' ' LEU . 24.4 m-85 -116.37 170.12 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.496 0.648 . . . . 0.0 112.446 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 55.4 p -118.96 178.65 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.234 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.89 -11.49 58.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.288 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -90.77 -42.51 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.545 ' NE2' ' HB2' ' B' ' 84' ' ' GLU . 0.5 OUTLIER -57.02 -46.98 81.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.785 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.21 -44.38 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.904 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.39 -45.73 82.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.346 . . . . 0.0 110.94 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' B' ' 43' ' ' THR . 0.9 OUTLIER -67.01 -42.04 85.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.343 -177.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.51 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 11.7 ptm -77.2 -30.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.035 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.0 t -64.39 -30.11 71.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.399 0.619 . . . . 0.0 109.401 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 69.0 m -62.42 -42.54 99.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.217 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' B' ' 48' ' ' MET . 51.5 mt -73.59 -35.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.64 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.182 0.515 . . . . 0.0 110.467 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.538 ' O ' HG23 ' B' ' 49' ' ' VAL . 22.4 mt-30 -67.01 -35.1 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.48 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 49.9 m -59.54 -37.58 78.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 0.0 110.281 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 77.7 mmm -69.08 -44.72 71.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 46' ' ' GLN . 8.6 m -69.86 -34.48 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.812 0.339 . . . . 0.0 111.217 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.36 -38.54 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.619 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.477 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 70.3 m -61.21 -46.24 91.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.839 175.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.72 -41.24 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -64.65 -40.71 95.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.294 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -63.11 -37.66 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.445 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.834 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.96 86.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.655 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.29 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.008 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -86.04 -16.01 39.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.33 36.16 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.249 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -116.19 19.16 15.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.5 p -74.83 120.01 19.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.042 0.448 . . . . 0.0 111.14 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -136.83 147.09 57.85 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.779 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.14 -37.45 79.74 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.061 2.507 . . . . 0.0 112.781 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.12 -50.2 74.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 49.5 mttm -64.68 -41.94 95.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.485 -177.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.97 -42.86 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.25 -48.88 77.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.915 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.47 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.079 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.31 -33.79 76.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.768 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' B' ' 70' ' ' ASN . 9.4 m120 -60.89 -42.41 97.92 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.104 175.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -73.34 -41.19 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.561 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 76' ' ' SER . . . -53.41 -40.91 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 0.0 110.255 175.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.592 ' O ' ' HG2' ' B' ' 77' ' ' MET . 76.9 t80 -67.41 -53.92 24.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.22 -35.44 71.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.945 -177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 -39.62 41.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.045 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.587 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 22.7 p -70.95 -31.49 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -67.62 -25.44 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 109.957 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -51.25 20.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.681 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.587 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -62.12 -41.51 98.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.161 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.551 HG13 ' O ' ' B' ' 76' ' ' SER . 16.4 mt -60.13 -45.43 95.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.54 87.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 110.441 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.53 71.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.921 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -64.38 -78.37 0.05 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.545 ' HB2' ' NE2' ' B' ' 37' ' ' GLN . 2.9 mp0 -76.97 170.61 16.2 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.375 0.607 . . . . 0.0 111.63 -175.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.69 -167.16 2.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.667 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.01 -66.34 0.53 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.988 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -106.19 -0.76 38.36 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.755 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.41 119.27 1.75 Allowed Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.333 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -73.59 178.53 4.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.31 -39.38 82.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.538 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -75.94 -31.02 58.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.087 0.47 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -70.26 -51.23 32.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.3 -33.42 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 84.6 m -68.06 -45.52 73.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.241 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.1 p -71.81 -31.2 66.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.385 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -58.61 -44.68 90.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.76 177.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.89 -48.18 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.598 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.85 84.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.4 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -60.62 -44.0 96.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.673 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.8 75.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.18 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.48 -42.44 99.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -59.12 -33.4 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.5 t30 -76.26 -42.46 45.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.18 -42.24 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.756 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.637 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.3 m-85 -65.68 -31.56 72.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 0.0 111.394 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.89 -22.76 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.756 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 31.5 mm-40 -78.64 -39.32 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.37 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -85.0 -69.16 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.505 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.9 t -97.81 -31.9 11.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.703 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.46 24.72 9.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.564 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -158.28 149.85 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.04 128.58 57.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 0.0 111.652 -174.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.38 101.26 4.03 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -53.59 -52.91 62.74 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 10.1 Cg_endo -53.46 -43.09 60.48 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.257 1.972 . . . . 0.0 112.402 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.458 ' O ' HG12 ' B' ' 120' ' ' ILE . 46.1 t80 -53.87 -45.91 71.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.28 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -66.84 -31.14 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.582 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.7 -10.77 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 115' ' ' PRO . 40.6 mt-10 -85.59 -42.26 14.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.458 HG12 ' O ' ' B' ' 116' ' ' PHE . 16.8 mm -62.81 -30.67 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.181 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 28.0 p -66.22 -20.95 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.489 . . . . 0.0 111.498 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -90.88 -28.15 18.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.579 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.2 mt -69.5 -50.94 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.096 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.92 -39.1 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.4 p -74.3 -46.13 43.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.708 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.5 ptm -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.525 -175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.61 -31.51 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.78 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.54 . . . . 0.0 110.687 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -74.21 -39.07 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.743 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.65 68.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.909 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.83 39.68 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.405 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -71.61 0.37 8.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.633 0.73 . . . . 0.0 110.93 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.598 HD21 ' N ' ' B' ' 134' ' ' ASP . 0.4 OUTLIER -99.49 -21.65 15.84 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.256 178.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.598 ' N ' HD21 ' B' ' 133' ' ' ASN . 7.4 t70 -100.73 -44.8 5.69 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.704 -177.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.8 m 41.63 27.95 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 30.6 t 55.19 39.72 31.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.354 0.409 . . . . 0.0 111.294 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.422 -179.429 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -99.04 90.62 4.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.041 0.448 . . . . 0.0 110.391 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.65 -138.32 10.8 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 57.13 30.47 18.35 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.62 0.368 . . . . 0.0 111.413 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -62.91 112.42 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -122.5 167.81 12.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.048 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -66.05 141.61 58.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.402 0.62 . . . . 0.0 111.14 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 11' ' ' THR . 2.2 p -151.08 163.98 21.8 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.872 -176.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.98 2.38 3.71 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.542 2.161 . . . . 0.0 112.731 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -138.84 18.4 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.72 0.295 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.555 HG22 ' OD1' ' A' ' 12' ' ' ASN . 10.1 t -67.39 -28.06 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.185 0.517 . . . . 0.0 110.95 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.555 ' OD1' HG22 ' A' ' 11' ' ' THR . 1.6 p-10 -159.96 153.16 18.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.0 Cg_endo -51.05 -35.42 50.82 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.181 2.587 . . . . 0.0 112.706 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -12.73 31.87 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.807 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -115.81 -26.16 7.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.297 0.549 . . . . 0.0 110.879 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.05 97.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 14.1 pt-20 -78.42 -7.97 57.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 18' ' ' ASN . 0.9 OUTLIER -83.37 -27.58 29.56 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.279 -0.263 . . . . 0.0 110.861 -178.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.32 -52.21 66.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.918 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -74.44 -30.17 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.482 0.182 . . . . 0.0 111.275 -176.339 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -65.08 -45.94 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.527 . . . . 0.0 109.896 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 49.1 m -66.9 -22.3 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.431 ' CE2' HD23 ' A' ' 27' ' ' LEU . 87.7 t80 -78.93 -56.88 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.794 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.99 -29.86 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.056 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 23.9 pt20 -67.99 -17.45 64.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 111.216 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.84 -24.18 6.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.542 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD23 ' CE2' ' A' ' 23' ' ' PHE . 33.8 tp -71.91 -22.79 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.536 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -63.92 -18.81 64.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -107.48 16.8 23.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmt -102.99 150.28 37.66 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.52 171.97 17.09 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.533 2.156 . . . . 0.0 110.914 172.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 90.57 -47.64 3.04 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.47 -0.872 . . . . 0.0 112.403 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -102.97 122.5 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.938 0.399 . . . . 0.0 110.587 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.403 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 46.8 p -86.7 166.09 15.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.25 40.13 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.317 0.386 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -65.67 -46.37 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.317 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' NE2' ' HB3' ' A' ' 84' ' ' GLU . 11.1 mm100 -71.82 -25.14 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -169.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -69.43 -21.57 63.73 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.508 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.51 -41.71 94.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 109.77 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 39.3 m-20 -66.48 -42.51 87.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.619 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.434 ' HE1' ' SD ' ' A' ' 77' ' ' MET . 12.4 mtp -76.37 -38.8 55.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.678 -175.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -63.57 -26.74 68.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.4 m -62.66 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.331 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.544 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.1 mt -72.86 -36.08 51.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.422 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.32 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.743 176.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.446 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -70.26 -37.98 75.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.886 177.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -56.38 -43.36 79.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 88.4 mmm -68.29 -45.5 72.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.297 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 33.2 m -65.52 -39.38 84.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.756 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.25 -45.27 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.483 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.504 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.2 m -56.97 -46.67 82.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.047 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 99.0 mt -63.58 -46.73 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.786 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.1 pt20 -70.23 -27.49 64.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 0.0 110.064 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 51' ' ' SER . 46.8 mt -63.42 -36.18 82.88 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.092 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -34.97 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.507 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.87 -42.1 64.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.74 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.57 -20.82 62.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.268 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.16 49.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.011 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 14.4 mtp180 -111.92 31.59 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.507 -175.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -82.99 128.51 34.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.369 0.604 . . . . 0.0 111.979 -176.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -151.6 146.13 18.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.72 -49.75 14.79 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.735 2.29 . . . . 0.0 112.484 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -71.02 -27.91 64.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 18.4 ttmm -73.42 -35.92 65.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.35 -34.05 75.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.535 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.3 -34.94 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.69 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -4.1 28.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.167 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 mt -112.98 5.23 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.09 -53.31 4.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.59 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.443 ' SD ' ' HE2' ' B' ' 132' ' ' MET . 33.3 mtp -79.99 -22.99 41.87 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.8 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.76 -33.52 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.497 172.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 77' ' ' MET . 81.0 t80 -76.99 -42.57 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 0.0 110.114 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.51 -32.1 72.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.639 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -81.67 -40.65 22.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.519 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.7 p -63.73 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.074 0.464 . . . . 0.0 110.803 178.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.513 ' HA ' ' HE3' ' A' ' 77' ' ' MET . 29.1 mmt -65.64 -31.49 72.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.87 -39.92 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.474 ' OE1' ' HA ' ' A' ' 76' ' ' SER . 10.5 pt-20 -71.72 -22.91 61.56 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.859 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 76' ' ' SER . 5.1 mt -75.22 -48.18 32.67 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.46 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.146 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.98 98.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.394 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 m -78.81 -46.42 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.879 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 31.3 mm-40 -96.5 138.28 34.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.724 0.773 . . . . 0.0 112.351 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -95.15 -155.9 0.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.675 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.69 -94.17 0.14 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.341 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.2 25.38 6.71 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.688 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -173.89 155.14 21.27 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.95 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.3 t -83.64 -167.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.76 -40.76 80.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.9 m -68.49 -32.74 72.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 m -77.9 -48.88 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.872 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HZ3' ' HB3' ' A' ' 93' ' ' LYS . 1.4 ptpm? -61.17 -35.71 77.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -69.98 -48.09 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m -65.79 -33.1 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -59.58 -55.18 37.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.491 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.3 -40.36 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.39 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.89 -176.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.9 t -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.07 73.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.989 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.06 -47.2 75.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.6 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.434 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 18.4 m -57.67 -36.2 71.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.309 0.576 . . . . 0.0 110.276 176.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.8 t30 -64.05 -38.46 91.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.966 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.05 95.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.473 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 71.7 m-85 -66.28 -32.67 74.22 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.283 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.9 mt -71.9 -17.49 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 62.6 mm-40 -91.54 -36.28 13.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.723 0.297 . . . . 0.0 110.71 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -71.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.447 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.3 p -87.95 -54.84 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.974 0.416 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.82 -5.77 9.05 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.5 p -131.49 148.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.58 132.52 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.403 -175.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.41 99.76 6.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.491 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 36.1 tt0 -57.71 -49.49 93.48 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 51.3 Cg_exo -55.46 -38.17 94.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.79 1.66 . . . . 0.0 111.916 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.609 ' O ' HG12 ' A' ' 120' ' ' ILE . 28.5 t80 -60.55 -52.04 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.76 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.277 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.257 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.11 -30.04 66.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.609 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.3 mm -60.22 -37.19 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.195 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.1 p -63.84 -33.05 74.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.616 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -70.49 -34.6 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.821 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 99.3 mt -60.8 -51.32 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.73 -35.39 70.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.175 0.512 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.2 t -66.27 -54.59 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.69 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -60.79 -39.82 90.29 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -65.92 -22.45 66.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.476 0.179 . . . . 0.0 111.313 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.748 0.308 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -88.91 -24.54 22.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.781 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.98 84.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.599 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.88 76.84 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.758 -0.656 . . . . 0.0 113.282 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -80.05 6.56 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.883 0.849 . . . . 0.0 110.638 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.51 -32.26 14.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.602 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -80.53 -34.14 35.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.82 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.9 m 41.11 44.88 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 124.234 0.959 . . . . 0.0 112.479 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.9 p 52.91 58.75 5.02 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.473 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.565 ' HA ' ' ND2' ' B' ' 4' ' ' ASN . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.031 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -92.97 91.24 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.669 0.271 . . . . 0.0 110.846 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.93 -115.84 0.57 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.874 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 137' ' ' ALA . 1.1 t-20 63.72 19.73 11.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.107 0.563 . . . . 0.0 111.47 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -83.74 85.93 7.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 109.887 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 -179.03 5.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.863 -177.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -55.75 146.46 21.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.58 0.705 . . . . 0.0 112.407 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.466 ' H ' ' HB ' ' B' ' 11' ' ' THR . 2.9 p -152.14 166.51 15.13 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.791 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.46 -15.14 28.62 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.363 2.042 . . . . 0.0 112.708 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -126.92 23.79 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.466 ' HB ' ' H ' ' B' ' 8' ' ' THR . 8.8 t -66.16 -27.59 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.786 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.446 ' ND2' HG22 ' B' ' 11' ' ' THR . 12.2 p30 -152.58 155.4 32.65 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 50.5 Cg_exo -56.5 -28.33 73.21 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.98 2.453 . . . . 0.0 112.549 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.6 -11.37 56.86 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.074 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -111.85 -39.81 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.854 0.359 . . . . 0.0 110.059 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.35 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.717 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 16.7 pt-20 -70.14 -26.31 63.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.517 . . . . 0.0 110.876 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -87.13 -7.64 57.8 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.132 -0.355 . . . . 0.0 111.217 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -65.97 -53.84 33.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -27.02 63.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.974 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 29.7 m-80 -64.32 -53.63 45.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 175.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -60.24 -33.56 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.672 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.567 ' CE2' HD22 ' B' ' 27' ' ' LEU . 80.4 t80 -65.54 -53.52 40.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.064 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.1 mmm -60.58 -37.81 82.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.718 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.4 mt-30 -57.26 -47.26 81.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.47 . . . . 0.0 110.472 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.478 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -76.25 -33.18 49.88 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.451 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.567 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.0 tp -71.87 -31.9 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.812 0.339 . . . . 0.0 111.278 -177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -67.96 -8.77 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 p -113.54 21.45 15.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.458 . . . . 0.0 110.406 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 23.9 mmt -109.11 147.32 35.69 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.0 151.31 30.68 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.095 1.863 . . . . 0.0 110.95 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.485 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 117.91 -39.76 2.52 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.556 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -102.11 126.25 49.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.334 0.588 . . . . 0.0 111.298 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -90.68 178.14 6.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.411 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.53 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.196 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.4 m -64.69 -48.74 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' B' ' 41' ' ' MET . 15.8 mm100 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.06 -33.81 76.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.97 -47.9 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.6 -45.12 84.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.434 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.1 ptp -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -64.24 -29.53 70.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.131 0.491 . . . . 0.0 109.739 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 m -68.27 -52.37 34.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.381 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.23 -40.09 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.178 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -43.98 71.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 110.975 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.417 ' O ' HG21 ' B' ' 49' ' ' VAL . 0.0 OUTLIER -73.99 -35.78 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.09 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.2 t -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.825 0.345 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.24 -42.01 93.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.38 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 16.2 m -68.4 -35.66 71.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.641 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.35 -46.14 91.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.453 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 54.5 m -57.83 -49.54 76.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.314 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.84 -47.94 87.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.744 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.7 pt20 -69.51 -31.18 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.206 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -67.0 -34.07 76.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 51' ' ' SER . 62.6 mt -69.7 -28.29 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.62 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.16 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 110.993 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -83.59 -3.78 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.155 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.98 84.35 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.546 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -111.84 15.91 20.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.643 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -80.31 121.01 25.12 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.429 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 34.9 m -143.85 158.49 56.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.627 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 12.2 Cg_endo -51.81 -43.23 52.88 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.47 2.78 . . . . 0.0 112.577 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -83.1 -36.94 24.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.628 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 20.3 mtmm -69.05 -35.32 76.45 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.85 -35.37 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.453 . . . . 0.0 110.141 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.09 -38.68 87.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.305 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.73 8.44 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.87 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 mt -121.71 4.78 10.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.361 0.6 . . . . 0.0 109.386 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.56 -50.43 7.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.659 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtp -85.43 -24.9 27.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.41 -29.86 50.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.422 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.569 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -80.46 -39.71 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.07 -32.93 74.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.318 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.5 p -75.45 -42.91 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.573 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.7 p -64.58 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.8 mmt -68.25 -33.71 74.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.916 0.389 . . . . 0.0 110.249 175.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -43.56 68.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.061 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' B' ' 76' ' ' SER . 11.0 pt-20 -67.37 -30.68 70.54 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.19 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 76' ' ' SER . 24.0 mt -70.65 -49.76 49.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 174.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.478 ' O ' ' HD3' ' B' ' 93' ' ' LYS . . . -63.19 -55.42 25.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.985 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.5 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.977 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 43.1 m -67.08 -55.56 13.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.74 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.41 161.18 15.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.733 0.301 . . . . 0.0 111.436 -173.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.3 -168.45 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.34 -37.71 0.64 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.907 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.43 19.27 9.24 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.485 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.01 141.3 5.52 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -90.09 -172.53 3.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.18 -35.54 67.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.96 0.41 . . . . 0.0 111.109 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -72.71 -48.68 36.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.116 0.484 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -48.28 82.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.205 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' B' ' 81' ' ' ALA . 18.8 ptpt -63.97 -25.24 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.249 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 95.6 m -78.04 -53.98 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 48.7 m -65.82 -31.24 72.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.455 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -57.47 -50.25 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.47 -49.21 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.32 77.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.788 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -65.99 -43.6 87.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.87 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.606 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.5 mmt -60.61 -47.91 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -59.7 -34.2 72.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.038 0.447 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.5 t30 -65.13 -43.88 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.814 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.58 80.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.501 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.612 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 34.9 m-85 -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.259 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.43 -24.24 60.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 67.3 mm-40 -80.61 -32.8 36.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -86.66 -74.36 0.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.084 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 35.3 p -89.87 -45.45 9.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.1 0.476 . . . . 0.0 111.246 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.19 14.53 13.11 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.612 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -144.39 147.65 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.5 127.22 60.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.074 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.2 102.24 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.451 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 35.7 tt0 -54.45 -54.54 47.37 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.462 -176.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.504 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 12.2 Cg_endo -55.85 -37.37 95.9 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.015 1.81 . . . . 0.0 112.121 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.591 ' O ' HG12 ' B' ' 120' ' ' ILE . 41.8 t80 -58.59 -51.94 67.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.519 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.41 -38.61 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -68.32 -45.71 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.447 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 53.9 mm-40 -61.22 -28.5 69.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.304 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.591 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.3 mm -60.9 -40.8 86.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.34 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.3 p -61.47 -37.38 83.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.345 0.593 . . . . 0.0 110.606 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.6 -38.76 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.525 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.19 -53.17 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.71 -38.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 0.0 110.573 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 31.6 t -67.31 -45.2 77.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.49 -40.44 77.04 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -67.01 -20.5 65.88 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.94 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.7 mp0 -84.58 -23.44 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.299 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -48.4 77.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.91 28.42 73.64 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.342 173.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' MET . . . . . 0.443 ' HE2' ' SD ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -79.52 10.26 4.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.439 -178.282 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -103.89 -35.05 8.29 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.617 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -93.48 -41.54 9.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.675 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m 38.52 38.18 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 124.53 1.144 . . . . 0.0 113.601 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 34.7 p 51.63 31.16 7.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.615 0.766 . . . . 0.0 112.342 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.256 178.089 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -154.38 -30.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.867 0.333 . . . . 0.0 111.589 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.59 39.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.791 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -74.86 88.2 2.3 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 122.584 -0.362 . . . . 0.0 111.669 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m 49.75 40.69 20.79 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.817 0.698 . . . . 0.0 112.808 171.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -87.51 159.97 18.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 t -59.83 127.88 34.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.082 0.944 . . . . 0.0 111.058 -173.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 11' ' ' THR . 2.3 p -159.92 162.35 24.71 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 114.012 -1.449 . . . . 0.0 109.147 -174.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.71 -10.49 28.93 Favored 'Trans proline' 0 C--O 1.222 -0.317 0 C-N-CA 122.24 1.96 . . . . 0.0 112.058 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.2 p90 -124.33 17.65 9.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' THR . 8.8 t -73.58 -16.26 61.25 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.787 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -156.99 152.33 21.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.09 -34.38 77.73 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.003 2.469 . . . . 0.0 112.692 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.12 -50.18 70.5 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.879 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.26 -34.04 72.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.65 -0.324 . . . . 0.0 110.879 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.97 83.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.992 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.52 -27.04 63.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.759 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -71.24 -22.4 61.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.04 -44.64 97.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.125 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -61.98 -45.97 91.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -59.37 -49.84 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.26 -26.94 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.046 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -77.25 -51.48 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.02 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.295 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.94 -22.4 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 0.0 110.47 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.93 -38.49 4.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.926 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.98 -31.28 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.278 . . . . 0.0 111.159 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 t -63.45 -16.65 61.22 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.244 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -99.95 9.95 42.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.043 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -93.38 147.71 34.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.097 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.71 -28.29 6.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.819 2.346 . . . . 0.0 113.206 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.37 -5.8 68.2 Favored Glycine 0 C--N 1.328 0.116 0 CA-C-N 116.088 -0.505 . . . . 0.0 114.189 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -124.69 153.27 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.207 0.527 . . . . 0.0 111.612 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 41.3 p -112.76 158.95 19.47 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.1 -178.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.51 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.564 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 p -65.62 -60.22 3.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.8 mm-40 -67.54 -26.04 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.739 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 34' ' ' THR . 64.3 mt -61.78 -34.05 75.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.927 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.63 -36.22 70.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.714 0.292 . . . . 0.0 110.587 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.94 -48.74 80.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.278 0.561 . . . . 0.0 110.24 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 8.3 ptp -74.08 -32.66 63.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.63 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m -60.6 -35.3 75.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.029 0.443 . . . . 0.0 109.837 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -59.72 -41.08 90.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.763 176.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 80' ' ' ILE . 47.7 mt -75.57 -37.49 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.647 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.06 72.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.546 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.754 177.635 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 t -59.98 -40.21 88.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.476 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 90.7 mmm -68.53 -44.62 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -177.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.03 -37.25 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.047 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.91 -37.77 88.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.7 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.58 -39.74 95.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 69.9 mt -66.38 -47.1 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.275 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.77 -46.33 89.49 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.769 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 p -65.21 -43.83 90.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.4 -32.32 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.015 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -38.58 77.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.95 86.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.392 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -75.17 -13.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.045 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.24 62.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.108 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -105.56 4.78 30.75 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.164 0.507 . . . . 0.0 110.598 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -85.69 124.31 32.07 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.895 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 65' ' ' LYS . 7.1 m -114.64 157.86 41.78 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.99 -35.18 59.89 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.468 2.112 . . . . 0.0 112.302 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -84.3 -26.74 28.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.776 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -76.41 -29.81 57.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.896 0.379 . . . . 0.0 110.271 -177.431 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.85 -31.48 69.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 0.0 110.253 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.506 HE22 ' HA ' ' B' ' 133' ' ' ASN . 8.1 tt0 -69.44 -42.54 74.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.385 172.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -73.79 71.22 1.47 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.944 0.878 . . . . 0.0 110.23 176.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 6.5 mt 175.62 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.621 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.18 -44.01 96.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -32.21 60.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.857 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.345 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' N ' ' HE2' ' A' ' 48' ' ' MET . 57.9 t80 -63.47 -49.55 73.19 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 120' ' ' ILE . . . -58.87 -39.62 81.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.635 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -76.43 -32.46 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.562 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 t -67.7 -32.3 72.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.374 0.607 . . . . 0.0 110.163 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.512 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 12.0 mmt -75.32 -22.58 57.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.05 21.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.562 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 16.4 pt-20 -61.43 -37.16 82.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.472 0.177 . . . . 0.0 110.727 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 44' ' ' ILE . 16.1 mt -65.2 -55.27 21.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.876 0.369 . . . . 0.0 110.451 176.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.22 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.03 92.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.957 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 m -81.21 -45.09 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.803 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -127.12 150.93 49.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 111.739 -176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.41 176.44 10.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.143 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.8 -8.17 3.16 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.446 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.28 40.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.06 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.58 123.97 1.91 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.006 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -66.52 169.78 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.69 -42.94 84.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -68.96 -37.88 79.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 m -66.04 -47.86 72.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.054 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.57 -38.25 83.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.072 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 m -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.618 0.247 . . . . 0.0 110.877 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.1 t -60.95 -33.0 72.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m -66.7 -49.05 67.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.905 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.4 mt -66.96 -46.24 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.186 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.09 86.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.725 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t -69.22 -32.02 71.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.793 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -75.08 -23.52 58.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 111.043 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mmt -72.67 -45.21 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -68.28 -33.75 74.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.8 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.573 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -76.28 -20.73 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.37 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.21 -38.22 72.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.12 -33.93 74.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.121 0.486 . . . . 0.0 110.902 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.16 -16.77 63.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.352 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 60.4 mm-40 -95.46 -28.88 14.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.611 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -89.05 -63.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.536 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.9 p -95.18 -43.49 8.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.971 0.415 . . . . 0.0 111.123 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.24 7.18 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.28 148.69 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.133 -0.533 . . . . 0.0 109.929 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.3 t -97.61 147.21 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 16.9 m120 -69.3 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.533 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 6.9 tp60 175.66 -59.08 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 O-C-N 123.439 0.462 . . . . 0.0 111.539 174.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 5.3 Cg_exo -73.87 -26.05 13.71 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.895 1.73 . . . . 0.0 112.61 -171.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.53 ' O ' HG12 ' A' ' 120' ' ' ILE . 39.5 t80 -53.71 -48.49 69.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 -177.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.19 -36.02 75.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -73.02 -29.33 62.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.129 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.576 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 37.5 mm-40 -69.69 -35.42 75.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.959 0.409 . . . . 0.0 111.128 177.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.3 mm -65.77 -39.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.598 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.5 p -64.08 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.403 0.62 . . . . 0.0 110.597 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.576 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 14.9 mt-30 -66.39 -42.51 87.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.707 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.353 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.89 -40.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.786 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 m -69.88 -45.72 67.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.07 -43.79 86.39 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -65.35 -28.22 69.13 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.133 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.03 78.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.783 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.07 -35.43 28.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.43 -49.53 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.003 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 60.33 36.66 91.53 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.011 174.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -81.85 27.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.507 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -102.84 -42.15 5.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.25 -178.852 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.25 -53.61 7.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.175 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.403 ' C ' ' HG ' ' A' ' 136' ' ' SER . 36.0 m 37.76 38.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 124.487 1.117 . . . . 0.0 113.483 -178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 135' ' ' VAL . 81.2 p 51.1 30.02 5.19 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.862 0.865 . . . . 0.0 112.501 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.042 0.449 . . . . 0.0 111.027 -179.878 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 N-CA-C 111.656 -0.577 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -156.28 113.38 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 122.854 0.461 . . . . 0.0 109.823 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.29 64.93 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.481 -174.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -82.93 -15.25 52.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m 57.17 70.42 0.65 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.601 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -98.57 -169.84 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 111.91 0.78 Allowed 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -176.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.467 ' O ' HG23 ' B' ' 11' ' ' THR . 1.4 p -152.92 162.61 25.95 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.483 176.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.59 -18.14 63.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.281 1.988 . . . . 0.0 112.585 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -117.1 21.58 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.467 HG23 ' O ' ' B' ' 8' ' ' THR . 10.6 t -74.05 -29.14 61.75 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.41 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -143.89 152.56 55.73 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.998 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -53.8 -31.61 62.62 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.011 2.474 . . . . 0.0 112.786 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.11 55.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.272 -0.49 . . . . 0.0 112.67 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.16 -32.29 64.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.711 -0.287 . . . . 0.0 110.688 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.57 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.74 -24.38 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.98 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.66 -27.17 66.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.828 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -63.03 -43.47 98.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.055 0.455 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -65.18 -44.51 88.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.894 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 22.7 m -68.01 -18.22 64.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 111.139 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.513 ' CE2' HD21 ' B' ' 27' ' ' LEU . 72.6 t80 -84.28 -55.64 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.416 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.57 -32.0 73.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.668 -176.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -64.4 -27.01 68.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 110.837 -178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.22 -32.52 6.68 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.647 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' B' ' 23' ' ' PHE . 28.4 tp -68.23 -29.19 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.367 . . . . 0.0 111.037 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -69.99 -5.96 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -115.65 9.34 15.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.085 0.469 . . . . 0.0 110.481 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.99 141.68 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.0 -14.4 16.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.84 2.36 . . . . 0.0 112.416 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.15 -19.4 63.82 Favored Glycine 0 C--N 1.32 -0.308 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.795 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -126.64 171.22 11.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 111.841 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.443 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 23.9 p -114.77 163.48 15.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.318 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.32 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.551 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.4 p -65.98 -48.45 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' B' ' 41' ' ' MET . 28.5 mm-40 -63.87 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.223 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 34' ' ' THR . 89.5 mt -60.98 -35.98 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.68 -39.72 94.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.82 -38.45 58.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.877 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.2 ptp -74.71 -32.96 62.3 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.445 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -58.8 -40.19 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.202 0.525 . . . . 0.0 109.705 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -60.54 -35.12 75.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.6 mt -75.04 -43.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.477 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.96 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.798 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.466 ' HA ' HE21 ' B' ' 46' ' ' GLN . 0.0 OUTLIER -72.32 -36.66 68.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 178.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 -33.68 75.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.518 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.45 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.6 mmm -73.19 -31.25 64.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.535 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 46' ' ' GLN . 22.8 m -83.0 -36.68 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.812 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.0 -40.34 96.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.233 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.5 p -64.29 -45.65 87.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -57.89 -45.61 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.558 0.218 . . . . 0.0 110.677 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.39 -42.93 96.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.734 0.302 . . . . 0.0 111.379 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' B' ' 58' ' ' GLN . 47.1 m -63.58 -42.14 98.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 0.0 110.629 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.34 -34.43 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.52 92.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 54' ' ' SER . 25.7 mt-30 -82.1 -7.75 59.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 23.7 77.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.257 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -102.77 13.32 34.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.519 0.676 . . . . 0.0 109.851 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -91.67 134.95 34.25 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.945 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.498 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 12.8 m -144.25 162.89 37.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 11.5 Cg_endo -51.05 -47.69 24.53 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.78 2.32 . . . . 0.0 112.083 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.09 -20.98 37.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.371 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 0.0 OUTLIER -76.6 -37.03 57.12 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 35.6 tt0 -58.8 -45.59 89.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.635 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.575 ' O ' ' HG ' ' B' ' 69' ' ' LEU . . . -75.3 70.42 2.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 68' ' ' ALA . 9.9 mt 176.22 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.748 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -43.08 97.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.484 177.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mmm -78.9 -32.96 45.97 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.879 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.34 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.222 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.45 ' N ' ' HE2' ' B' ' 48' ' ' MET . 49.1 t80 -65.02 -53.64 42.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.933 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.2 -36.91 73.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.473 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -77.67 -32.04 52.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 5.7 t -70.43 -33.06 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.478 0.656 . . . . 0.0 110.073 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 17.0 mmt -73.9 -25.44 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.098 0.475 . . . . 0.0 109.819 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.02 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.85 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.2 pt-20 -65.14 -33.03 75.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.59 0.233 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.72 -48.58 45.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.156 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.53 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.554 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.81 -11.78 56.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.4 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -88.64 -69.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.039 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -112.52 170.87 7.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.415 0.626 . . . . 0.0 112.368 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.519 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 10.1 pt-20 -163.25 -160.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.272 176.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.73 -64.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.5 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.71 -20.32 60.04 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -132.27 156.89 22.24 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 114.628 -0.786 . . . . 0.0 111.622 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -91.1 -176.63 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 0.8 OUTLIER -56.37 -45.81 80.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.072 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -66.98 -38.89 86.88 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.229 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -64.44 -50.3 68.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.37 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.519 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 17.4 ptpt -62.48 -35.5 79.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.775 -177.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 38.1 m -64.28 -47.45 79.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 46.2 t -62.14 -38.2 88.06 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 60.9 m -60.57 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.91 -45.25 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.583 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.6 79.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.555 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -65.35 -39.59 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.87 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.119 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -62.16 -42.58 99.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.296 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -61.38 -36.68 80.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.562 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.3 t30 -72.54 -40.58 66.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.912 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.07 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.781 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.583 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 51.3 m-85 -66.96 -33.82 76.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.78 -23.29 60.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 28.3 mm-40 -77.91 -48.54 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.161 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -72.84 -73.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.346 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -92.65 -40.08 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.373 -175.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.87 12.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.878 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.2 p -149.35 151.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.73 134.12 43.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 3.5 m-20 -61.76 -36.98 82.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.429 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.56 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 35.8 tt0 97.35 -73.39 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.106 1.363 . . . . 0.0 113.088 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.551 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 31.5 Cg_exo -59.9 -29.41 89.39 Favored 'Trans proline' 0 C--N 1.367 1.537 0 CA-C-N 121.986 1.745 . . . . 0.0 112.33 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.59 ' O ' HG12 ' B' ' 120' ' ' ILE . 44.5 t80 -52.79 -46.97 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.937 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.54 -38.62 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -74.01 -20.53 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.449 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -79.48 -31.9 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.872 0.367 . . . . 0.0 110.275 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.59 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -66.54 -38.95 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 46.5 p -63.01 -26.49 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.334 0.588 . . . . 0.0 110.732 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -78.41 -41.49 32.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.248 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.5 mt -56.68 -47.81 79.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.403 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.25 -30.69 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.073 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -84.56 -35.88 22.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.558 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.556 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 25.5 ptm -65.28 -52.5 53.86 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.214 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.43 -20.29 66.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.9 -20.31 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 20.8 mt-30 -89.06 -34.63 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.418 . . . . 0.0 109.929 177.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -60.0 4.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.942 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' B' ' 133' ' ' ASN . . . 55.4 57.95 16.16 Favored Glycine 0 C--N 1.333 0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.862 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 17.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.401 0.619 . . . . 0.0 110.832 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.506 ' HA ' HE22 ' A' ' 67' ' ' GLN . 0.3 OUTLIER -86.69 -35.68 19.15 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.347 177.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -74.47 -28.41 61.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.223 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 m 44.78 24.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.424 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m 57.56 20.64 6.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.077 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.668 -178.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -108.42 -159.49 0.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.37 131.24 2.38 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.004 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -120.17 96.56 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.149 0.5 . . . . 0.0 110.731 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -104.22 111.27 23.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.535 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -87.06 155.1 20.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -73.09 138.76 46.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.442 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 2.3 p -153.75 158.88 32.58 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.079 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 36.5 Cg_exo -62.39 -15.19 43.55 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.307 2.004 . . . . 0.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -122.3 20.43 10.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.573 -175.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.442 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 12.5 t -75.88 -17.37 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.628 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -151.96 154.88 33.22 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 177.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -80.48 18.29 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.332 2.688 . . . . 0.0 113.077 -174.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.19 -0.31 10.52 Favored Glycine 0 CA--C 1.503 -0.681 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -124.57 -31.94 3.18 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.648 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -59.93 -33.24 71.62 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.93 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.13 -18.86 62.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.232 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.42 -22.11 52.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.55 -57.31 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 111.121 -176.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -68.43 -49.19 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.476 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 42.7 m -64.37 -19.38 65.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.626 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 38.4 t80 -76.28 -63.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.243 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.562 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 10.4 ptm -80.26 -15.02 57.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -168.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 13.8 pt20 -60.42 -33.29 72.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.0 110.086 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.97 -18.48 43.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.522 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.698 HD23 ' SD ' ' A' ' 41' ' ' MET . 31.9 tp -73.09 -28.12 62.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.937 0.398 . . . . 0.0 110.657 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -71.66 5.34 2.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.784 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 27' ' ' LEU . 48.4 t -120.07 7.11 10.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.036 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.5 mmt -93.77 139.51 22.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.913 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.69 -18.85 32.35 Favored 'Trans proline' 0 N--CA 1.472 0.26 0 C-N-CA 123.014 2.476 . . . . 0.0 113.03 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.19 96.8 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.671 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.66 163.38 12.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 0.0 111.456 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.469 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 71.5 p -110.58 166.15 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.975 176.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.26 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 111.519 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -70.66 -33.56 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 10.8 mm100 -89.3 6.43 40.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.531 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 34' ' ' THR . 4.6 mm? -105.44 5.44 31.63 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.917 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.57 -43.36 10.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.112 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.631 ' HA ' ' CD ' ' B' ' 65' ' ' LYS . 0.8 OUTLIER -67.7 -50.19 58.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.698 ' SD ' HD23 ' A' ' 27' ' ' LEU . 43.6 ttm -59.94 -39.68 86.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.214 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.562 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 23.6 p -66.08 -35.98 81.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.2 m -61.64 -36.6 81.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' OG ' ' A' ' 76' ' ' SER . 59.0 mt -74.15 -37.03 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.821 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.16 81.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.59 -9.84 45.57 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 68.5 p -84.13 -39.65 19.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.105 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -64.86 -33.21 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.93 -34.83 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.307 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.68 -36.29 83.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.563 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 m -59.84 -55.73 30.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.946 174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 48' ' ' MET . 68.2 mt -55.91 -52.57 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.926 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.19 -36.12 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.408 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.1 m -71.65 -40.66 69.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 51' ' ' SER . 90.8 mt -62.84 -35.95 81.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.706 0.288 . . . . 0.0 110.361 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' HA ' ' OG1' ' A' ' 61' ' ' THR . . . -65.76 -48.04 73.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.743 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.13 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -88.4 0.88 55.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.603 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 41.79 55.25 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 114.525 0.57 . . . . 0.0 114.525 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG3' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.25 18.61 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.35 0.575 . . . . 0.0 111.037 176.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -88.69 139.56 30.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.943 0.401 . . . . 0.0 111.765 178.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.48 ' OG ' ' HE2' ' A' ' 65' ' ' LYS . 36.3 p -150.82 152.04 31.23 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.47 -38.1 43.24 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.327 2.684 . . . . 0.0 113.592 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -73.21 -40.4 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.48 ' HE2' ' OG ' ' A' ' 62' ' ' SER . 53.4 mtmt -78.52 -24.17 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.42 -33.58 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.49 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.2 tt0 -69.26 -39.86 78.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.231 176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . . . -57.28 -36.01 70.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.379 0.609 . . . . 0.0 110.647 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -74.8 -1.66 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.4 -50.46 6.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.555 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 86.6 mmm -70.55 -37.4 74.02 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.994 0.426 . . . . 0.0 110.268 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 77' ' ' MET . 82.5 t80 -71.8 -47.24 54.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.298 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.56 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.416 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.402 . . . . 0.0 110.247 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.532 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 12.3 t -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.724 0.774 . . . . 0.0 110.048 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.667 ' SD ' ' HG3' ' A' ' 41' ' ' MET . 20.7 mmt -73.99 -30.36 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.947 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.79 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.802 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 14.1 pt-20 -64.0 -37.63 88.14 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.628 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 76' ' ' SER . 11.3 mt -65.27 -52.4 52.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.432 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.39 77.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.77 82.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.325 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -66.78 -60.89 2.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.899 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.99 159.73 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.357 0.598 . . . . 0.0 112.1 -171.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -160.05 -164.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.695 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -34.2 0.74 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.996 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.76 -41.27 5.71 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.53 167.33 23.57 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.724 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -81.5 -177.69 6.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.469 0.176 . . . . 0.0 110.555 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.528 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 65.6 tp -50.97 -40.69 58.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.115 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -45.06 93.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.419 0.628 . . . . 0.0 110.454 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -68.95 -51.23 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.628 -174.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.528 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 60.6 pttt -66.7 -31.31 71.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.757 0.313 . . . . 0.0 111.404 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -72.16 -43.6 64.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.368 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.4 t -65.44 -34.24 77.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.524 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.9 m -57.71 -44.17 85.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.626 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.19 -50.48 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.53 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.8 t -65.25 -44.28 88.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.65 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.387 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.2 mmt -61.45 -42.82 99.36 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.475 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 22.9 m -63.52 -34.22 77.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.319 0.581 . . . . 0.0 110.07 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.7 t30 -67.83 -44.67 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.807 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.36 68.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.52 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 34.8 m-85 -66.09 -37.08 84.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.386 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.2 mt -70.01 -22.94 63.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.741 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.6 mm-40 -82.76 -37.89 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -62.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.792 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.9 p -101.06 -44.56 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.781 0.325 . . . . 0.0 111.597 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.98 4.11 19.08 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.3 p -142.27 147.41 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.37 133.48 67.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.902 0.382 . . . . 0.0 111.35 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.27 117.55 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.855 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 59.4 tt0 -65.1 -55.59 25.72 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.3 Cg_endo -56.01 -34.54 92.6 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.178 1.918 . . . . 0.0 112.731 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 120' ' ' ILE . 63.4 t80 -53.5 -48.77 68.68 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.769 176.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.28 -32.22 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.926 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 118' ' ' ASN . 0.9 OUTLIER -70.81 -45.63 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -178.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.749 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.3 mm -59.12 -37.66 69.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.599 -177.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.6 p -65.64 -23.32 66.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 111.318 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.7 -35.56 62.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.425 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.74 -48.14 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.105 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.67 -33.0 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.79 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.8 t -71.86 -44.76 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.248 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.4 ptm -70.1 -40.28 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -66.6 -20.7 66.07 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.466 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -82.1 -22.28 36.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.993 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -53.03 61.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.175 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.79 29.62 61.83 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.397 -0.819 . . . . 0.0 113.87 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -78.93 6.04 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.874 0.845 . . . . 0.0 110.755 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.22 -30.23 11.23 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.739 177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -89.18 -45.37 9.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m 39.36 38.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 124.501 1.126 . . . . 0.0 113.188 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.1 p 49.73 31.9 4.78 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.008 0.923 . . . . 0.0 112.595 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.764 179.278 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -102.35 26.85 7.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.137 0.494 . . . . 0.0 110.2 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.49 31.22 6.53 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -133.68 49.51 2.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 0.0 110.325 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -91.81 159.01 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.653 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -112.48 163.96 13.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.923 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -94.38 145.26 24.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 111.302 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.503 ' O ' HG22 ' B' ' 11' ' ' THR . 7.9 p -147.79 157.77 43.51 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.142 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.22 -6.25 14.32 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.294 1.996 . . . . 0.0 112.667 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 17.5 p90 -128.77 12.62 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.503 HG22 ' O ' ' B' ' 8' ' ' THR . 9.3 t -77.15 -16.07 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.575 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -149.58 150.66 31.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.616 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 51.5 Cg_exo -55.78 -33.57 88.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.921 2.414 . . . . 0.0 112.671 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.79 -54.65 35.65 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.887 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.78 -34.8 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.547 -0.384 . . . . 0.0 110.773 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.93 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 11.1 pt-20 -71.88 -40.15 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.706 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.25 -32.88 74.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.478 0.18 . . . . 0.0 111.141 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.406 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 21.6 ptp -78.64 -26.53 45.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.327 -175.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -66.03 -48.36 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.183 0.516 . . . . 0.0 110.191 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 15.7 m -74.34 -10.74 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.979 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.58 -53.46 10.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.339 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' B' ' 42' ' ' SER . 25.7 mtp -71.65 -23.3 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.857 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' B' ' 22' ' ' SER . 8.2 pt20 -62.06 -33.4 74.33 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.6 -26.12 21.18 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.518 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.04 -33.85 75.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.372 . . . . 0.0 110.33 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -67.0 -6.58 17.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -111.26 11.29 21.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.977 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -101.15 135.22 19.96 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.15 -22.18 35.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 123.279 2.653 . . . . 0.0 113.561 -175.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.47 -21.34 77.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.772 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -105.9 159.52 15.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.315 0.579 . . . . 0.0 112.121 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 60.7 p -117.32 167.14 11.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.834 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.06 69.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -61.01 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.465 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' B' ' 41' ' ' MET . 10.6 mm100 -70.4 -30.81 67.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.173 0.511 . . . . 0.0 110.85 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.54 11.23 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.983 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.15 -42.13 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.816 172.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -54.5 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.052 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 12.4 ptm -67.77 -24.39 65.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -174.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.419 ' HA ' ' SD ' ' B' ' 24' ' ' MET . 12.9 m -65.11 -22.75 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 52.4 m -71.67 -37.03 70.83 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.688 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 mt -77.06 -32.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.7 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 0.0 110.777 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . 0.454 ' O ' HG22 ' B' ' 49' ' ' VAL . 2.7 pt20 -77.98 -22.63 49.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.036 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.448 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 28.0 t -64.14 -43.65 94.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.465 ' O ' HG13 ' B' ' 52' ' ' ILE . 72.6 mmm -64.85 -45.97 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.716 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 46' ' ' GLN . 5.2 m -64.35 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -67.73 -29.28 68.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.83 0.348 . . . . 0.0 110.74 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 22.2 m -75.58 -45.79 35.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 48' ' ' MET . 82.1 mt -61.19 -50.14 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.297 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 3.7 pt20 -61.71 -38.13 86.74 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.623 0.249 . . . . 0.0 111.253 -177.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -66.9 -37.45 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 51' ' ' SER . 67.5 mt -66.77 -36.58 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.52 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.73 87.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.12 74.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.158 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -87.28 2.43 50.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.358 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.19 42.64 99.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.912 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -104.21 -6.86 20.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.403 . . . . 0.0 109.978 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 18.6 p -87.46 166.25 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.585 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.52 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 81.5 p -169.01 162.22 7.86 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.52 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 13.6 Cg_endo -51.51 -40.7 62.88 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.204 2.603 . . . . 0.0 112.936 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -87.92 -21.31 25.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.099 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.631 ' CD ' ' HA ' ' A' ' 40' ' ' ASP . 51.8 mtmt -92.02 -15.88 27.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.323 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -77.31 -35.18 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.827 0.346 . . . . 0.0 110.787 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.74 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.455 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -68.49 -8.44 41.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.024 0.44 . . . . 0.0 111.739 -176.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -102.02 12.92 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.18 -54.2 3.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 175.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' MET . . . . . 0.52 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 94.8 mmm -69.41 -36.68 76.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.949 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.7 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.427 0.454 . . . . 0.0 110.765 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.402 ' N ' ' HE1' ' B' ' 48' ' ' MET . 71.0 t80 -69.13 -51.92 33.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.553 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.01 72.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.635 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 31.5 t -75.79 -38.82 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' B' ' 79' ' ' GLU . 12.2 t -68.12 -31.26 70.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.218 0.532 . . . . 0.0 110.163 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 30.5 mmt -66.67 -39.91 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.289 176.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.34 86.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.992 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.616 ' OE2' ' HA ' ' A' ' 68' ' ' ALA . 31.2 tt0 -53.99 -59.49 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.855 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 16.9 mt -59.39 -42.42 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.54 92.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.426 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.423 ' HA ' HD11 ' B' ' 90' ' ' LEU . . . -81.32 -23.59 37.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.425 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.15 -44.26 96.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.848 0.356 . . . . 0.0 111.647 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.39 159.54 35.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.96 -153.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.65 -155.08 6.53 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.219 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.08 -12.21 71.41 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.79 -112.51 3.71 Favored Glycine 0 N--CA 1.438 -1.222 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.681 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -131.51 150.78 52.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.596 0.236 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' B' ' 82' ' ' ALA . 58.5 tp -58.66 -42.29 88.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -63.62 -22.68 67.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.459 -178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.3 m -70.47 -28.67 65.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.18 -36.24 81.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -55.73 -49.58 72.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.046 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 35.6 t -68.44 -36.13 78.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.53 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 52.0 m -59.98 -50.03 75.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.63 -48.4 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -44.36 78.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 111.146 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 58.6 m -62.89 -49.17 75.88 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.282 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.49 65.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.804 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.9 mmt -64.01 -45.03 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.16 0.505 . . . . 0.0 109.791 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.7 m -61.1 -38.61 86.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.987 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.609 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.3 t30 -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.773 176.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.05 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.464 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.3 m-85 -64.67 -37.09 86.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.031 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -22.57 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 70.2 mm-40 -83.87 -18.76 36.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -107.99 -70.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -88.42 -47.77 8.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.264 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.07 10.59 17.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.452 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.9 p -143.77 146.39 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.06 124.48 59.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.944 0.402 . . . . 0.0 111.245 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -85.07 97.98 10.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.37 -42.74 97.52 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.69 -38.24 36.54 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.942 1.761 . . . . 0.0 112.506 174.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.575 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.2 t80 -66.45 -53.39 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.044 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.02 -42.0 84.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.473 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -62.95 -39.99 96.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.559 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -73.4 -28.1 61.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.605 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.575 HG12 ' O ' ' B' ' 116' ' ' PHE . 48.4 mm -61.79 -38.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 75.2 p -60.25 -41.62 93.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.12 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.35 -35.9 81.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' B' ' 126' ' ' MET . 93.9 mt -57.85 -46.45 84.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.96 -42.54 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.025 0.44 . . . . 0.0 110.474 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 15.9 p -87.57 14.0 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.1 ptm -116.48 -39.62 3.33 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.223 176.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.0 -23.55 65.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.088 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.27 76.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.406 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -75.08 -24.76 58.21 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.206 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.88 -50.29 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.069 0.461 . . . . 0.0 109.938 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.07 2.1 61.28 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.894 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.6 -2.41 19.83 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.357 0.579 . . . . 0.0 111.864 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.644 HD21 ' N ' ' B' ' 134' ' ' ASP . 0.4 OUTLIER -106.3 -22.72 12.75 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.992 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.644 ' N ' HD21 ' B' ' 133' ' ' ASN . 22.0 t70 -101.56 -43.78 5.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.242 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m 41.91 30.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 124.633 1.208 . . . . 0.0 113.758 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.7 p 40.88 63.56 1.15 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.573 0.749 . . . . 0.0 112.392 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.301 176.565 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p -87.01 31.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.697 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.77 72.96 2.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.632 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -87.55 -79.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -69.56 109.98 4.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 0.0 112.105 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -139.04 172.16 13.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.182 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 t -66.02 142.43 57.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.483 0.659 . . . . 0.0 111.45 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.543 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -144.6 155.1 56.84 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.386 178.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 22.7 Cg_exo -65.83 -7.06 15.54 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.397 2.065 . . . . 0.0 112.587 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -134.47 24.3 3.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.594 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.554 HG23 ' OD1' ' A' ' 12' ' ' ASN . 7.4 t -71.9 -38.08 70.0 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.617 0.246 . . . . 0.0 111.585 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.554 ' OD1' HG23 ' A' ' 11' ' ' THR . 2.1 p-10 -157.14 161.49 29.34 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 12' ' ' ASN . 51.3 Cg_endo -68.15 37.99 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.375 2.717 . . . . 0.0 113.452 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 12' ' ' ASN . . . -129.02 2.19 6.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 175.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.74 -34.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.865 -0.667 . . . . 0.0 110.298 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -57.0 -37.31 71.48 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.069 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.65 22.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.336 0.589 . . . . 0.0 110.956 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.6 -22.49 65.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.306 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.41 -51.0 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.549 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.461 ' O ' ' HG2' ' A' ' 24' ' ' MET . 2.0 mpt? -60.94 -46.16 91.79 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.448 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 41.7 m-80 -57.57 -48.51 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.09 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.56 -44.91 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.451 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 84.2 t80 -58.88 -48.96 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.267 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 20' ' ' MET . 75.8 mmm -60.01 -37.89 81.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 93.1 mt-30 -66.27 -42.48 88.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.52 73.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.294 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 tp -68.92 -29.45 67.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.673 0.273 . . . . 0.0 111.317 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -69.02 -6.48 28.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.756 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -110.83 13.97 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.885 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.45 146.1 31.43 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.14 -20.15 11.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.23 2.62 . . . . 0.0 113.467 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 -3.49 88.7 Favored Glycine 0 C--N 1.319 -0.366 0 C-N-CA 121.039 -0.601 . . . . 0.0 114.53 -171.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' CE1' HD13 ' A' ' 27' ' ' LEU . 33.0 m-85 -119.4 168.58 10.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.772 0.786 . . . . 0.0 112.725 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.402 ' O ' HD23 ' A' ' 38' ' ' LEU . 80.9 p -110.77 -174.26 2.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.418 -177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.36 -18.2 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.3 p -88.16 -48.73 7.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.552 -176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.7 mp0 -57.26 -34.95 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.097 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 34' ' ' THR . 2.0 mm? -62.16 -32.5 73.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.237 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.71 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.521 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -56.35 -50.12 72.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.636 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 7.5 ptp -73.98 -35.89 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.378 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -60.64 -36.18 78.0 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.358 0.599 . . . . 0.0 109.472 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 m -65.16 -47.11 78.17 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.632 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mt -62.81 -38.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.848 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.43 2.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.67 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -60.12 -39.1 85.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.921 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.439 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 22.5 m -59.46 -41.69 90.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.945 0.402 . . . . 0.0 110.721 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.449 ' O ' HG13 ' A' ' 52' ' ' ILE . 71.5 mmm -72.78 -45.8 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.758 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.98 -51.25 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.555 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.66 -40.94 96.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.67 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.517 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.3 m -61.54 -42.15 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.503 0.192 . . . . 0.0 110.791 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 63.0 mt -57.05 -48.55 81.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.964 0.412 . . . . 0.0 110.867 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -68.79 -29.04 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m -71.17 -33.31 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.337 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 51' ' ' SER . 73.7 mt -68.13 -33.55 74.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.107 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.54 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.035 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.26 -21.44 62.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.421 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -100.76 -13.91 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.62 36.88 11.2 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.876 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HG3' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -115.46 11.92 16.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 176.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.75 126.88 31.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.323 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 m -152.77 154.23 31.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.7 -54.29 5.69 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.107 2.538 . . . . 0.0 112.935 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.42 -39.14 92.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.556 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -63.13 -45.35 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.264 0.554 . . . . 0.0 110.445 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.05 -35.51 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.14 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -58.61 -42.12 87.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.95 86.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.998 0.428 . . . . 0.0 110.393 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 mt -68.55 -32.42 72.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -48.14 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.73 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.931 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' B' ' 76' ' ' SER . . . -51.65 -39.83 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.742 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.647 ' O ' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -70.3 -45.17 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.83 87.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.242 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -71.52 -39.72 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.348 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.5 p -69.71 -30.5 68.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.441 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.647 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -64.64 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -44.65 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.204 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -55.02 -56.91 14.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.067 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 76' ' ' SER . 40.1 mt -56.11 -45.94 80.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.84 70.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.202 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.304 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -68.4 -79.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.37 163.83 12.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -161.32 165.8 28.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.053 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.03 -86.66 0.1 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.36 17.09 59.04 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.69 118.96 2.74 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 10.3 m -72.75 173.0 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 5.7 tt -50.72 -46.99 59.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -62.85 -43.93 97.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -64.12 -52.31 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.427 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.5 pttt -67.69 -32.29 72.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.3 m -68.22 -46.38 70.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 0.0 110.701 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 m -65.81 -32.14 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -61.08 -43.44 98.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.765 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.2 -45.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.607 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.0 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.215 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.555 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -79.06 -23.45 44.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.055 0.455 . . . . 0.0 110.806 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.453 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 24.4 mmt -75.15 -47.65 27.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.283 176.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -63.83 -38.31 90.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.626 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.555 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.8 OUTLIER -76.7 -21.8 54.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.397 -178.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.45 -38.32 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.994 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.6 m-85 -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 110.856 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.38 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.144 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.4 mm-40 -84.63 -43.33 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.862 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -78.94 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 111.744 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.3 p -95.5 -45.99 6.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.981 0.419 . . . . 0.0 111.114 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.61 1.69 27.49 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.4 p -138.84 148.32 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.1 125.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.097 0.475 . . . . 0.0 110.91 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.42 108.72 15.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.592 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.3 tt0 -61.65 -41.24 76.94 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 87.8 Cg_exo -44.05 -41.66 12.59 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.471 2.114 . . . . 0.0 113.011 174.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.554 ' O ' HG12 ' A' ' 120' ' ' ILE . 87.6 t80 -63.65 -46.29 86.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.46 -33.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.832 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.63 -27.93 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.766 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -86.19 -30.89 22.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.0 mm -59.13 -39.38 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.226 -178.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.4 p -63.99 -34.43 77.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -72.65 -27.77 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.958 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.72 -50.61 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.529 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.3 t -62.03 -35.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.41 0.624 . . . . 0.0 110.021 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -69.56 -45.62 68.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.518 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.96 -38.62 83.0 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.28 -19.27 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.648 0.261 . . . . 0.0 111.377 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.85 94.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.275 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.51 -26.55 45.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.724 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.68 -58.19 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.486 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.96 70.2 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 113.085 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -78.71 7.55 6.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 111.072 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.408 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER -97.58 -33.33 11.38 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.89 177.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.29 -46.37 11.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.915 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.9 m 37.83 36.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 124.478 1.111 . . . . 0.0 113.836 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 24.7 t 60.41 25.72 15.28 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.636 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.711 179.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -150.8 130.51 13.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.555 0.217 . . . . 0.0 110.577 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.34 127.84 3.02 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.138 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.4 -49.25 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 0.0 110.592 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -143.36 139.15 29.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.92 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -64.84 -54.74 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -171.96 150.45 2.57 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.131 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 p -147.62 146.63 25.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.827 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.22 -25.11 57.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.122 1.881 . . . . 0.0 111.912 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' TRP . . . . . 0.406 ' HE3' ' OD1' ' B' ' 70' ' ' ASN . 15.3 p90 -97.1 17.51 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.544 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 14.9 t -72.41 -16.7 61.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -151.84 148.6 21.99 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.62 48.67 2.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.403 2.735 . . . . 0.0 112.878 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.54 -41.2 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -76.21 -37.71 57.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.683 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.88 -41.6 67.72 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -174.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -13.47 61.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -72.04 -22.18 61.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 110.416 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -63.36 -50.07 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.545 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 20' ' ' MET . 1.9 mpt? -58.83 -45.45 89.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.533 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 52.8 m-80 -61.61 -50.97 70.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -62.08 -38.95 90.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.931 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.66 -49.81 75.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.7 mt-30 -63.71 -46.81 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.478 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.12 -39.17 63.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.428 HD11 ' CE1' ' B' ' 33' ' ' PHE . 28.9 tp -66.94 -31.32 71.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.804 0.335 . . . . 0.0 111.249 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -5.17 37.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 110.826 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -105.79 14.87 27.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.323 0.582 . . . . 0.0 109.685 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.2 mmt -102.73 144.33 28.4 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.743 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -23.49 24.23 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.013 2.475 . . . . 0.0 112.889 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . 0.464 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -66.43 -32.23 81.18 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.374 -176.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.428 ' CE1' HD11 ' B' ' 27' ' ' LEU . 74.8 m-85 -107.9 138.03 44.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 0.0 111.497 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.403 HG23 ' HA3' ' B' ' 86' ' ' GLY . 6.5 p -87.77 159.15 18.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.854 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -12.75 14.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.8 p -105.47 -16.37 14.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.43 0.633 . . . . 0.0 109.814 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -77.83 -29.17 50.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.084 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.77 -23.74 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.711 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.08 -39.19 88.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.25 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -72.39 -37.32 68.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.431 ' HB2' ' CE ' ' B' ' 77' ' ' MET . 6.7 ptm -87.7 -21.44 25.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.4 t -65.38 -28.89 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.0 m -59.05 -45.25 91.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.427 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mt -71.94 -33.26 47.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.684 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.402 ' O ' HG22 ' B' ' 49' ' ' VAL . . . -51.28 -55.93 15.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.36 175.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -63.6 -34.36 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.194 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 36.7 m -61.62 -42.56 99.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.882 0.372 . . . . 0.0 110.635 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.473 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.3 mmm -73.56 -38.25 65.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.629 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.3 t -59.06 -57.09 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.772 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.99 -30.92 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.465 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 32.2 t -60.15 -45.38 93.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.048 0.451 . . . . 0.0 110.176 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.89 -43.03 98.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.641 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 4.5 mm100 -62.29 -39.13 91.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.618 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -66.94 -36.73 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.963 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.14 -36.21 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.976 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.78 81.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.54 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.44 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.03 -14.96 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 49.45 5.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.617 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 73.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -116.03 131.75 56.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' B' ' 65' ' ' LYS . 11.5 m -154.83 154.99 29.92 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.73 -45.77 34.36 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.83 2.353 . . . . 0.0 111.972 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -81.0 0.95 33.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.349 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.475 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 7.0 tppt? -98.7 -40.17 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.47 -25.76 45.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.053 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.3 tt0 -58.07 -44.6 87.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.807 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.27 -3.43 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' B' ' 10' ' ' TRP . 1.0 OUTLIER -90.91 -48.93 6.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.29 -40.76 90.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.07 -43.72 78.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.784 0.326 . . . . 0.0 110.659 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.473 ' N ' ' HE2' ' B' ' 48' ' ' MET . 58.8 t80 -64.56 -46.89 80.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.287 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.7 78.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -69.87 -41.63 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.235 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.483 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 74.6 p -73.54 -3.8 30.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.613 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 27.7 mmt -103.03 -6.84 21.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.89 -52.02 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.795 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -70.82 -32.28 69.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.96 -175.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mt -58.36 -47.46 87.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . 0.495 ' CB ' HD13 ' B' ' 97' ' ' ILE . . . -75.34 -38.61 60.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.391 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.82 63.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -79.22 -62.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -79.14 148.82 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.004 0.43 . . . . 0.0 111.726 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -158.96 157.86 32.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.057 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -127.17 -87.94 0.62 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.509 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.85 -19.27 44.24 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.338 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . 0.464 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -108.57 151.1 17.08 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.2 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 16.2 m -92.64 -172.88 3.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.9 tp -57.64 -35.76 70.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.781 0.325 . . . . 0.0 110.99 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p -80.4 -2.8 47.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -107.42 -53.31 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.113 0.482 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 89' ' ' SER . 50.5 pttt -65.48 -30.67 71.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.753 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 35.8 m -64.94 -45.32 86.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.776 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -67.47 -30.73 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 0.0 110.284 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.597 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' B' ' 81' ' ' ALA . 62.8 mt -65.91 -43.01 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.66 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.67 -48.46 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -67.79 -42.57 81.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . 0.513 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -63.47 -33.74 76.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.025 0.44 . . . . 0.0 111.164 -179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.86 -46.43 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.436 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.4 p -67.33 -32.53 73.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.046 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 0.9 OUTLIER -81.17 -23.21 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.301 -178.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.23 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' PHE . . . . . 0.598 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.5 m-85 -63.95 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.49 -10.69 59.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 65.3 mm-40 -96.51 -19.81 18.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.334 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.88 -70.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.6 p -92.82 -34.13 13.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.168 0.508 . . . . 0.0 111.058 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 5.38 49.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.598 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.6 p -136.91 147.59 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.899 -0.65 . . . . 0.0 109.45 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.93 125.72 73.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.224 0.535 . . . . 0.0 110.839 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.84 120.96 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.814 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.458 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 9.4 tt0 -58.87 -50.29 88.79 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.04 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 52.6 Cg_endo -68.98 15.95 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.473 2.115 . . . . 0.0 113.51 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . 0.614 ' O ' HG12 ' B' ' 120' ' ' ILE . 42.7 t80 -106.96 -52.39 2.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 169.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.48 -36.42 77.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.053 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -67.34 -31.9 72.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.21 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.462 ' HA ' HE21 ' B' ' 122' ' ' GLN . 38.2 mm-40 -79.41 -32.5 42.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.745 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ILE . . . . . 0.614 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.2 mm -62.45 -43.5 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.191 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -63.67 -33.94 76.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.499 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' B' ' 119' ' ' GLU . 18.9 mt-30 -72.06 -32.28 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.706 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.47 -50.46 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.404 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 120' ' ' ILE . 39.4 t -57.61 -41.77 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 4.1 p -73.86 -37.19 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.024 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -72.68 -31.59 65.17 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -73.17 0.27 12.2 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 120.688 0.28 . . . . 0.0 111.458 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.01 -41.81 25.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.212 0.529 . . . . 0.0 110.056 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -77.36 -15.59 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.12 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.55 81.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.89 -26.07 4.99 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.554 173.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -77.03 -5.63 49.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.499 0.666 . . . . 0.0 111.261 -176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ASN . . . . . 0.408 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -84.89 -38.54 19.3 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.067 178.044 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' B' ' 136' ' ' SER . 13.8 t70 -69.64 -30.64 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.56 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . 0.401 HG21 ' O ' ' B' ' 134' ' ' ASP . 25.8 m 58.71 -27.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 126.13 1.772 . . . . 0.0 114.579 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' SER . . . . . 0.53 ' H ' ' C ' ' B' ' 134' ' ' ASP . 17.4 m 57.48 32.63 22.1 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.412 0.685 . . . . 0.0 111.755 175.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.293 -178.861 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 11' ' ' THR . 1.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HG3' ' CE1' ' A' ' 105' ' ' PHE . 57.4 Cg_endo -71.63 0.44 6.96 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.23 1.954 . . . . 0.0 112.623 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -130.12 18.45 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.435 HG23 HD22 ' A' ' 12' ' ' ASN . 13.9 t -76.87 -15.21 59.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.435 HD22 HG23 ' A' ' 11' ' ' THR . 12.1 p30 -153.35 152.4 27.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.5 Cg_exo -53.09 -36.01 74.84 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.921 2.414 . . . . 0.0 112.883 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.34 -56.56 23.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.55 -30.49 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.532 -0.393 . . . . 0.0 110.76 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.11 90.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 9.8 pt-20 -75.62 -28.74 58.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.6 -22.32 60.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.032 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -55.62 -55.64 29.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.391 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -27.42 60.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.327 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -67.68 -47.11 70.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -78.45 -9.51 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.068 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -85.52 -50.97 6.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.05 -35.43 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.67 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -64.57 -29.98 71.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.14 -37.85 6.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.878 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.44 -26.78 67.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -66.52 -12.09 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -112.98 16.33 19.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.905 0.383 . . . . 0.0 110.434 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -94.03 139.61 22.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.566 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.94 -27.84 25.12 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.095 2.53 . . . . 0.0 113.512 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.17 -1.19 87.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.675 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.55 154.14 32.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.692 0.758 . . . . 0.0 112.738 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 21.4 p -115.82 162.76 16.84 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.542 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.68 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -55.47 -47.27 76.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.538 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.644 ' O ' ' HG2' ' A' ' 41' ' ' MET . 49.3 mt-30 -67.54 -46.17 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 34' ' ' THR . 96.5 mt -57.63 -38.76 75.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.84 -175.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.86 -43.34 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.263 0.554 . . . . 0.0 110.899 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 3.5 t70 -69.47 -45.45 68.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.751 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.644 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 8.3 ptp -74.58 -30.06 61.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 p -66.96 -28.88 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 109.525 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.9 m -64.56 -44.94 89.16 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.957 174.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 80' ' ' ILE . 48.5 mt -68.47 -33.81 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.686 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.33 -49.76 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HA ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -74.95 -17.83 60.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.844 0.354 . . . . 0.0 111.279 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 51.0 m -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.906 0.384 . . . . 0.0 110.433 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 52' ' ' ILE . 95.1 mmm -68.23 -45.8 72.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.761 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 46' ' ' GLN . 22.0 m -65.22 -37.77 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.75 0.309 . . . . 0.0 110.833 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -67.0 -30.3 70.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.574 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.6 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 47.2 t -69.47 -43.05 74.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 0.0 110.146 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 48' ' ' MET . 80.4 mt -62.84 -51.01 77.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.0 pt20 -63.73 -31.29 72.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.19 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 66.2 m -63.52 -45.3 91.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.116 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.1 -36.36 83.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.23 86.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.78 73.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.631 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 54' ' ' SER . 94.7 mt-30 -78.99 -20.46 49.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.04 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.12 30.14 43.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.164 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -109.66 6.64 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.051 0.453 . . . . 0.0 110.488 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.68 123.54 25.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.25 0.547 . . . . 0.0 111.863 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -144.77 155.34 56.17 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.46 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.21 -33.03 62.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.175 2.583 . . . . 0.0 113.195 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.9 -54.64 31.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.582 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD3' HG21 ' B' ' 43' ' ' THR . 55.0 mttm -65.45 -36.8 84.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.901 -177.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.395 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.614 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -67.71 -42.95 81.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 176.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.81 93.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.764 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.23 -31.22 69.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -45.5 93.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.6 mmm -70.78 -39.17 73.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.754 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -54.47 -39.49 67.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 77' ' ' MET . 84.4 t80 -71.54 -46.67 58.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 177.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.63 78.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.014 0.435 . . . . 0.0 111.272 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -73.95 -39.85 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.065 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.466 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 7.7 p -69.72 -36.43 75.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.788 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.5 mmt -64.2 -40.58 96.37 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.5 93.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.192 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 75.0 tt0 -55.07 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.283 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.51 HD11 HD12 ' A' ' 44' ' ' ILE . 37.1 mt -49.21 -45.55 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 O-C-N 123.519 0.512 . . . . 0.0 111.58 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -46.29 63.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.022 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 127' ' ' PHE . . . -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.024 -177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 44.9 m -55.28 -68.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.253 0.346 . . . . 0.0 110.711 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 83' ' ' SER . 12.6 mt-10 -167.55 133.31 2.04 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.778 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -91.36 -32.46 15.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.394 1.092 . . . . 0.0 110.478 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 -52.16 3.71 Favored Glycine 0 C--N 1.294 -1.786 0 CA-C-N 113.382 -1.735 . . . . 0.0 112.435 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.11 51.75 0.85 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.173 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.31 -134.44 2.17 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.237 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 48.0 t -155.81 151.45 27.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 46.1 tp -54.83 -42.25 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.554 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 p -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.423 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -58.91 -42.53 89.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.946 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 90' ' ' LEU . 19.2 pttp -68.32 -36.63 79.58 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -65.14 -42.48 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 110.474 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.7 t -65.32 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.286 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.846 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.1 -45.7 95.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.861 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -47.59 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 111.23 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -66.43 -38.9 88.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.52 -32.57 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.415 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 21.7 mmt -63.43 -50.25 70.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.987 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -56.92 -35.59 69.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.401 0.62 . . . . 0.0 109.797 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.3 t30 -63.05 -45.5 91.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.138 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.46 89.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.497 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.458 ' CE1' ' HG3' ' A' ' 9' ' ' PRO . 72.9 m-85 -65.17 -34.73 79.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.91 -15.49 58.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.4 mm-40 -88.36 -30.35 19.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -82.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.9 t -84.46 -33.05 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.26 13.85 25.68 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.624 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -149.44 151.0 13.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 114' ' ' GLN . 21.6 t -107.47 136.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 19.2 m120 -63.6 -36.54 84.14 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.928 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.584 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 7.3 tp60 103.77 -64.67 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.253 1.421 . . . . 0.0 113.092 175.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 17.3 Cg_exo -66.95 -22.98 47.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 121.351 1.518 . . . . 0.0 111.83 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 120' ' ' ILE . 30.6 t80 -53.21 -52.19 59.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.37 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.3 mm -60.9 -38.91 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.675 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -63.97 -45.04 90.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.755 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' B' ' 130' ' ' ALA . 52.9 mm-40 -65.88 -32.94 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -177.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 116' ' ' PHE . 48.1 mm -63.33 -35.94 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.147 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.6 p -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.066 0.46 . . . . 0.0 110.587 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -71.33 -43.45 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.294 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.79 -49.1 78.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.088 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 120' ' ' ILE . 4.1 t -68.68 -12.31 15.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.5 m -116.55 4.32 13.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.1 ptm -104.15 -43.66 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.379 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 38.9 m-85 -65.61 -20.0 66.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -176.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.91 90.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -74.27 -33.21 63.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.52 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.27 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.91 40.76 99.29 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.198 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -85.6 15.84 4.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.858 0.837 . . . . 0.0 110.321 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.313 -0.986 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.831 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.453 ' O ' HG22 ' B' ' 11' ' ' THR . 1.6 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.52 2.23 2.09 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.403 2.068 . . . . 0.0 112.619 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -139.73 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.447 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 8' ' ' THR . 8.8 t -77.85 -22.41 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.055 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.97 152.8 37.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.18 -35.78 43.98 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.486 2.791 . . . . 0.0 113.352 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.04 71.22 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.818 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.76 0.314 . . . . 0.0 110.581 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.89 67.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.69 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.556 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 12.2 pt-20 -68.81 -33.08 73.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.11 0.481 . . . . 0.0 110.639 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.38 -27.03 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.68 -59.48 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.612 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.7 OUTLIER -71.65 -26.94 62.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.397 -174.648 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 22.7 m-80 -65.69 -52.34 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.665 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 44.5 p -68.67 -29.74 68.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 111.015 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -59.0 -49.91 76.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 20' ' ' MET . 81.9 mmm -62.55 -36.14 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 86.8 mt-30 -60.7 -42.79 97.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.397 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.2 -37.14 29.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.451 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.457 HD11 ' CE1' ' B' ' 33' ' ' PHE . 34.6 tp -66.49 -31.46 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -177.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.5 t -67.12 -9.24 37.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -109.78 16.48 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.121 0.486 . . . . 0.0 110.068 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -101.17 134.19 20.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.56 -23.47 36.95 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.187 2.591 . . . . 0.0 113.037 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.55 -7.11 87.15 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.072 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' B' ' 27' ' ' LEU . 29.0 m-85 -116.77 159.14 22.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.531 0.681 . . . . 0.0 112.15 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.1 p -124.42 169.1 12.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.447 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.93 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m -60.09 -43.44 95.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.675 ' O ' ' HG3' ' B' ' 41' ' ' MET . 50.7 mt-30 -66.54 -53.98 28.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.443 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.75 -35.3 66.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.684 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.25 -45.4 94.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.016 0.436 . . . . 0.0 110.882 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.56 -44.88 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.258 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' B' ' 37' ' ' GLN . 36.5 mtp -65.42 -34.04 77.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.972 -174.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -67.18 -14.86 63.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.555 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 13.2 m -73.22 -42.31 62.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -66.74 -37.38 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.834 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.43 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.274 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -76.6 -18.99 58.32 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.314 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.6 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 68.3 m -72.76 -43.35 62.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 110.408 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' B' ' 52' ' ' ILE . 85.4 mmm -66.65 -46.37 75.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.598 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 23.7 m -62.64 -37.75 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.654 0.264 . . . . 0.0 111.096 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 8.2 t -73.98 -41.67 61.6 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 48' ' ' MET . 85.2 mt -61.86 -47.52 92.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.4 pt20 -67.26 -29.42 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.235 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -66.13 -38.85 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.09 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.505 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.41 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.791 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.79 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 110.783 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -94.13 -6.99 43.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.478 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 24.74 76.62 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.767 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.99 24.96 11.12 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.03 125.06 34.84 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.224 0.535 . . . . 0.0 111.66 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 43.3 m -143.79 155.15 59.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.543 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 17.3 Cg_endo -52.93 -44.19 50.61 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.46 2.773 . . . . 0.0 112.911 -175.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -69.99 -41.06 74.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.6 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.486 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 56.5 mttm -66.21 -35.29 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.178 0.513 . . . . 0.0 110.673 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.14 -32.08 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.33 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -66.78 -42.92 85.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.047 174.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -63.79 -24.69 67.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 69' ' ' LEU . 30.8 mt -94.91 3.76 54.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.216 0.531 . . . . 0.0 110.195 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -94.57 -51.5 4.72 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.95 -34.6 73.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.277 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.411 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -63.58 -48.97 75.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.586 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.517 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -76.62 -35.22 58.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.213 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.632 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 57.8 p -81.0 4.99 17.73 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.421 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 21.7 mmt -106.7 -11.87 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.315 0.578 . . . . 0.0 109.781 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 -44.58 12.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.63 -174.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.632 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -72.75 -32.35 65.59 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.853 -176.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.515 HG21 ' HG2' ' B' ' 41' ' ' MET . 4.0 mt -55.17 -50.31 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.02 57.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.66 70.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.869 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -67.7 -68.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -139.5 114.57 9.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' B' ' 85' ' ' GLU . 0.0 OUTLIER -97.16 -30.14 13.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.513 1.149 . . . . 0.0 109.654 177.729 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.56 -53.22 4.06 Favored Glycine 0 C--N 1.298 -1.566 0 CA-C-N 113.313 -1.767 . . . . 0.0 112.483 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.27 55.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.171 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 -155.21 7.0 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.086 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 38.9 t -141.29 166.5 24.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.549 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 0.3 OUTLIER -56.38 -49.25 74.99 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.584 0.552 . . . . 0.0 110.141 -177.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 7.1 p -70.92 -45.26 64.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.206 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -56.77 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.3 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 54.9 pttt -69.5 -29.3 66.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.119 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 60.0 m -67.11 -43.8 81.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -67.84 -37.08 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -59.98 -48.5 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.522 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.85 -46.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.63 0.252 . . . . 0.0 110.669 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.33 85.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.577 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.11 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -60.52 -43.26 97.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.237 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -55.06 -51.83 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -54.47 -41.38 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.888 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.08 -27.66 65.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.032 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 46.2 m-85 -73.43 -31.43 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.23 0.538 . . . . 0.0 110.619 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.7 -21.04 45.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.285 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.0 mm-40 -84.01 -25.04 30.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.58 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.0 p -91.52 -66.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.429 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -105.89 -26.59 11.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.664 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 16.33 23.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.485 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.4 p -159.77 152.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.95 128.59 51.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.586 0.231 . . . . 0.0 110.421 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.645 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 0.2 OUTLIER -57.71 -41.67 82.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 103.99 -67.72 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 125.476 1.51 . . . . 0.0 112.913 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.645 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 11.1 Cg_endo -53.8 -31.87 63.78 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.231 1.954 . . . . 0.0 112.72 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.624 ' O ' HG12 ' B' ' 120' ' ' ILE . 49.0 t80 -53.98 -55.39 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.3 -37.24 78.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.219 0.533 . . . . 0.0 110.959 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.32 -28.26 67.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.041 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -89.74 -22.62 22.1 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.045 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.624 HG12 ' O ' ' B' ' 116' ' ' PHE . 46.2 mm -65.95 -37.64 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.68 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 17.6 p -62.22 -33.31 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.132 0.491 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.61 -37.54 76.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.61 -49.06 79.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.079 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.76 -38.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.037 0.446 . . . . 0.0 110.966 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 17.0 t -81.81 -11.51 58.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.663 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -98.93 -36.64 9.69 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -66.91 -16.23 64.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.684 0.278 . . . . 0.0 111.691 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.538 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -88.29 -7.58 56.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.075 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.436 ' HA ' ' HG3' ' A' ' 119' ' ' GLU . . . -53.64 -43.99 69.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.345 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.17 -18.16 5.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.916 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -78.77 5.27 11.69 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.777 0.798 . . . . 0.0 111.207 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.614 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.516 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.45 -3.61 11.33 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.72 2.28 . . . . 0.0 112.6 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -127.86 23.0 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' A' ' 12' ' ' ASN . 12.7 t -74.41 -11.57 60.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.419 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' A' ' 11' ' ' THR . 11.0 p30 -151.89 153.12 31.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.74 -30.2 83.48 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.084 2.522 . . . . 0.0 112.726 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.49 -55.52 29.54 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.217 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.48 -28.95 68.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.794 0.33 . . . . 0.0 110.776 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.57 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.48 -30.9 62.02 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -54.41 -46.64 73.21 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.761 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.02 -40.02 75.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.367 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.6 mtt -71.91 -50.28 30.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.639 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -69.47 -27.81 65.54 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.775 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 59.3 m -69.49 -25.69 64.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.964 0.411 . . . . 0.0 110.789 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.87 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -33.53 74.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.766 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 18.8 pt20 -68.52 -21.16 64.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -178.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 -28.15 8.0 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.654 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 33' ' ' PHE . 37.4 tp -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.091 0.472 . . . . 0.0 110.303 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 p -68.26 -16.52 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.641 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -103.62 10.89 36.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.4 139.92 25.4 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.916 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.29 -21.78 40.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.138 2.559 . . . . 0.0 112.99 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.88 76.51 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.377 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 27' ' ' LEU . 77.9 m-85 -115.4 169.28 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 111.603 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -119.64 152.33 37.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.775 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.54 66.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -71.37 -48.75 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.04 -18.28 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 0.0 111.118 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 28' ' ' SER . 57.3 mt -69.64 -24.48 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.02 -42.29 84.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.596 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.45 -42.36 92.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.942 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.552 ' HG2' HG21 ' A' ' 80' ' ' ILE . 30.6 mtp -68.58 -41.14 80.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.101 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -29.9 69.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.779 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 16.7 m -61.54 -42.38 98.74 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.863 0.364 . . . . 0.0 110.163 177.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -66.44 -37.72 80.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.304 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.65 75.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.866 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -74.1 -15.63 61.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.436 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 m -79.19 -41.53 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.984 0.421 . . . . 0.0 110.201 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 95.0 mmm -65.87 -44.0 86.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.624 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 33.4 m -66.55 -38.55 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.0 -38.74 82.99 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 121.251 -0.18 . . . . 0.0 110.712 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.648 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.2 t -58.15 -53.73 54.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.05 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.78 -51.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 48.3 mt-30 -61.65 -38.53 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.256 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.4 m -73.31 -32.54 64.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 51' ' ' SER . 75.3 mt -69.26 -34.82 75.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.411 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.56 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.971 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.18 78.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -77.64 -41.84 36.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.61 52.36 0.67 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.24 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -131.25 19.17 4.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.33 0.586 . . . . 0.0 110.049 173.513 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 162.01 15.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.683 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 31.2 t -170.79 149.95 2.99 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.9 -34.9 78.09 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.269 1.979 . . . . 0.0 111.452 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -75.63 -31.28 59.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.164 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 9.5 tppt? -72.88 -39.97 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.984 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 62' ' ' SER . 69.6 mt -65.95 -29.99 70.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.765 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 52.4 tt0 -58.56 -51.2 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.801 176.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -61.16 -30.51 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.324 0.583 . . . . 0.0 111.068 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 65' ' ' LYS . 3.9 mm? -70.43 -18.22 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.873 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.3 m-20 -73.6 -56.3 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.7 mmm -65.66 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.36 71.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.464 ' N ' ' HE2' ' A' ' 48' ' ' MET . 60.3 t80 -79.02 -44.98 21.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.292 0.568 . . . . 0.0 110.265 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.45 -33.87 75.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.963 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -74.96 -44.7 46.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.485 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.5 p -65.29 -33.03 75.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.876 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.449 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 29.7 mmt -64.22 -38.72 92.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.78 83.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' OE1' ' HB2' ' B' ' 71' ' ' MET . 44.2 tt0 -57.71 -52.32 65.92 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.659 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.552 HG21 ' HG2' ' A' ' 41' ' ' MET . 9.6 mt -64.64 -42.94 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.63 80.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.602 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.41 70.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.234 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 m -85.0 -50.04 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -92.49 134.96 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.576 0.703 . . . . 0.0 112.18 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.77 149.22 23.35 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.045 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.48 32.24 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.343 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.32 -47.48 0.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.46 159.66 23.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.961 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.4 p -95.87 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.619 0.209 . . . . 0.0 110.573 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.62 -36.73 72.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 p -74.94 -40.55 60.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.106 0.479 . . . . 0.0 110.559 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -63.39 -47.94 79.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.357 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.58 -38.37 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.781 0.324 . . . . 0.0 110.833 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.6 m -65.68 -47.77 74.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.5 t -66.28 -32.73 74.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.594 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -59.86 -48.27 82.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.32 -40.84 83.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.624 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.12 78.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.259 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 t -67.07 -43.1 83.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -67.21 -35.09 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.716 -178.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -66.37 -36.0 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.164 0.507 . . . . 0.0 110.187 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m -68.49 -39.88 81.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.612 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.1 p-10 -75.34 -20.15 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.561 -175.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.49 75.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 39.2 m-85 -65.93 -28.55 69.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 111.291 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.78 -7.06 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.309 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -98.06 -46.39 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -74.1 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.615 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -101.48 -55.0 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.895 0.378 . . . . 0.0 111.103 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.12 6.14 8.46 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.99 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -141.02 147.84 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -104.36 141.87 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 27.1 t-20 -100.68 123.51 44.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.51 -60.61 9.48 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 Cg_endo -49.1 -42.2 39.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.17 1.913 . . . . 0.0 112.631 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 120' ' ' ILE . 40.4 t80 -56.1 -56.25 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.3 . . . . 0.0 110.61 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.18 -42.16 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.8 -37.15 81.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 39.4 mm-40 -62.72 -38.14 89.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -59.85 -40.13 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.975 -177.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.6 p -67.34 -31.9 72.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 110.889 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -71.97 -33.86 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.21 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -48.46 81.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.39 -38.55 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 110.22 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 t -65.69 -47.33 75.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.158 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.3 ptm -69.69 -45.06 69.14 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.12 -23.65 67.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.33 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.98 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.149 0.499 . . . . 0.0 110.843 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -93.71 -27.68 16.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.764 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.64 3.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.986 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.86 89.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.562 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -79.72 8.37 6.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.945 0.878 . . . . 0.0 110.95 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.443 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.585 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 16.9 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.443 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 35.8 Cg_endo -67.37 1.92 2.69 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.186 1.924 . . . . 0.0 112.995 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 9.8 p90 -134.77 10.93 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.585 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.8 t -76.72 -24.36 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.188 0.518 . . . . 0.0 110.438 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.414 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -141.8 150.6 57.23 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.57 -31.68 92.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.754 2.303 . . . . 0.0 112.829 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.77 -36.63 93.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.912 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 18' ' ' ASN . 75.1 mt -84.72 -32.01 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.482 -0.422 . . . . 0.0 110.74 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.25 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.328 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -22.74 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.435 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASN . . . . . 0.475 ' HB2' ' HA ' ' B' ' 15' ' ' LEU . 0.5 OUTLIER -63.57 -44.6 93.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.668 177.431 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.22 -38.88 66.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.882 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 16.0 mmt -62.18 -60.0 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.117 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.479 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 2.3 p-10 -68.27 -30.5 69.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.272 -175.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -65.15 -38.0 89.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.02 -49.28 75.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.666 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 80.7 mmm -60.69 -36.71 79.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.392 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 81.1 mt-30 -57.11 -55.2 37.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 0.0 110.417 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.09 91.1 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.388 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.37 -32.26 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.684 0.278 . . . . 0.0 110.831 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -69.72 -6.41 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.646 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -112.66 9.69 19.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.597 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -92.75 144.46 28.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.731 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.55 -15.06 14.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.926 2.418 . . . . 0.0 113.045 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -74.37 -25.24 71.07 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.522 -176.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -122.08 152.77 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 111.164 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 86' ' ' GLY . 17.6 p -102.79 169.8 8.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.513 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.21 96.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.5 t -62.83 -35.18 79.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' B' ' 41' ' ' MET . 25.6 mm-40 -62.2 -52.06 65.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.887 0.375 . . . . 0.0 111.248 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.81 -27.61 69.0 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.1 -25.34 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.897 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.5 -35.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.527 ' HG2' HG21 ' B' ' 80' ' ' ILE . 43.6 mtp -72.99 -37.54 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.642 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.6 p -59.06 -24.54 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m -59.24 -39.94 84.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 48' ' ' MET . 60.8 mt -72.99 -35.59 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 109.873 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.94 89.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 176.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.34 -18.4 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.872 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.448 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 59.4 p -83.31 -34.76 25.64 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.459 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 86.4 mmm -65.4 -43.61 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.112 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 31.7 m -68.49 -38.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.852 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -65.35 -39.32 92.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 23.2 t -60.02 -53.19 60.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.956 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 85.7 mt -55.21 -46.62 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.366 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.11 -40.85 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.001 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -70.21 -32.24 70.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 51' ' ' SER . 78.3 mt -68.71 -37.3 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.12 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -27.6 63.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.465 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 44.2 mt-30 -96.6 -3.27 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.21 14.7 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.616 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.556 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -133.41 20.22 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 0.0 110.387 172.501 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 149.93 31.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.121 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -171.15 151.72 3.24 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.86 -39.96 76.55 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.613 2.209 . . . . 0.0 111.034 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.4 -48.38 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.161 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -41.46 96.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.888 -176.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -69.72 -36.3 75.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.489 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.27 -47.21 77.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.41 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.9 -22.92 65.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.267 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 mt -87.83 -5.71 58.48 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.87 -46.16 25.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.432 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 96.5 mmm -77.87 -34.32 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -26.99 64.51 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.189 0.519 . . . . 0.0 111.132 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.11 -45.15 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.54 . . . . 0.0 110.155 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -64.46 -34.91 79.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.683 -178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.8 p -71.45 -45.56 62.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.423 ' HB2' HD13 ' B' ' 44' ' ' ILE . 12.3 p -67.04 -35.22 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.414 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.5 mmt -64.95 -38.83 92.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 110.467 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.07 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.469 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.596 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 88.8 tt0 -58.12 -52.57 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' B' ' 41' ' ' MET . 8.7 mt -62.49 -39.02 82.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.141 0.496 . . . . 0.0 110.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.55 86.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.299 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.37 67.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.863 0.363 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' B' ' 133' ' ' ASN . 48.0 m -70.09 -64.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.525 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -120.99 -178.73 3.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.212 0.529 . . . . 0.0 111.537 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.429 ' HB3' ' HE2' ' B' ' 93' ' ' LYS . 6.0 pt-20 -158.66 150.12 20.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.102 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.421 ' O ' HG23 ' B' ' 34' ' ' THR . . . -128.36 72.57 0.47 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.644 -174.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.47 -32.2 7.79 Favored Glycine 0 CA--C 1.499 -0.94 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -100.22 156.51 19.55 Favored Glycine 0 N--CA 1.434 -1.448 0 CA-C-N 114.593 -0.804 . . . . 0.0 112.432 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -93.94 -170.25 2.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.3 tp -54.83 -38.59 67.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.604 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -67.14 -46.88 72.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.317 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -67.24 -46.08 74.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.518 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 85' ' ' GLU . 19.2 ptpt -61.82 -41.05 97.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.0 110.598 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 58.4 m -66.33 -44.11 84.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -62.15 -36.06 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.58 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -64.37 -49.7 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' B' ' 101' ' ' MET . 59.2 mt -63.22 -46.8 94.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.25 82.99 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -68.52 -39.83 81.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.98 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.162 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.2 mmt -64.62 -42.99 95.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.104 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 28.9 m -60.46 -34.41 73.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.2 t30 -62.22 -52.84 62.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.543 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -33.99 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.238 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.1 m-85 -67.08 -37.36 83.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.779 0.324 . . . . 0.0 111.29 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.62 -20.64 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.289 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 83.8 mm-40 -81.6 -34.65 30.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.079 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 7.5 p -93.71 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -93.34 -45.13 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.06 0.457 . . . . 0.0 111.381 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.28 4.25 25.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.9 p -142.2 149.22 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.18 133.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -88.84 105.53 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.109 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 55.3 mt-30 -54.79 -50.99 82.83 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 34.5 Cg_endo -64.55 -0.32 2.92 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.075 1.85 . . . . 0.0 113.373 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.489 ' O ' HG12 ' B' ' 120' ' ' ILE . 47.4 t80 -93.14 -52.96 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.2 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.863 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -74.3 -5.73 43.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.194 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.99 -28.8 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 110.423 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.489 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -63.52 -34.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.798 -178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -59.12 -34.99 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.05 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.911 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.75 -49.27 78.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.367 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.36 -35.42 66.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.054 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -77.82 -46.06 22.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ptm -59.43 -46.64 88.16 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.31 -32.02 73.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.699 0.285 . . . . 0.0 110.85 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -35.51 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.671 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.13 -30.11 49.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.604 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.59 98.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.099 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.84 18.86 71.74 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.024 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -80.79 11.33 3.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.862 0.839 . . . . 0.0 110.308 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 83' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.927 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.705 176.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 11' ' ' THR . 23.4 p . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.416 0.151 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.0 -23.39 43.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.301 2.001 . . . . 0.0 112.306 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -103.61 18.78 21.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.022 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 8' ' ' THR . 10.6 t -82.69 -14.55 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.989 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -153.21 149.26 21.26 Favored Pre-proline 0 C--O 1.233 0.202 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.19 -36.82 97.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.814 2.342 . . . . 0.0 113.086 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -50.63 63.75 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.978 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -68.21 -35.5 78.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.311 -0.523 . . . . 0.0 110.924 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.01 -34.56 57.46 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.864 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -63.85 -27.61 69.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 111.114 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -59.87 -34.28 72.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.694 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mmt -75.35 -45.83 36.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 109.247 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 25.4 m120 -61.74 -49.27 77.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -32.71 72.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' A' ' 27' ' ' LEU . 79.7 t80 -69.61 -50.02 48.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.648 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -61.22 -36.38 79.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.727 -176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.6 mt-30 -59.85 -46.37 89.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.927 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.26 -32.71 46.98 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD22 ' CE2' ' A' ' 23' ' ' PHE . 38.7 tp -68.33 -31.18 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 110.77 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -72.27 2.07 6.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.193 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -114.85 11.69 16.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.463 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -98.37 141.99 23.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.081 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.94 -27.18 12.43 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.885 2.39 . . . . 0.0 113.159 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.26 -15.45 70.08 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.925 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -116.33 155.48 28.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.215 0.531 . . . . 0.0 111.008 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.8 p -111.84 153.94 25.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.913 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.56 39.07 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.252 0.345 . . . . 0.0 111.742 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 m -60.09 -42.26 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -69.07 -45.5 70.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.67 -40.33 68.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.21 -23.51 61.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.156 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -86.2 -43.51 12.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.2 ptm -73.28 -22.42 60.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.9 -28.99 69.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.514 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -58.3 -41.47 84.5 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' A' ' 80' ' ' ILE . 58.2 mt -75.85 -36.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 0.0 110.192 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -50.54 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.001 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -14.4 60.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.61 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -82.0 -40.41 22.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.74 0.305 . . . . 0.0 110.424 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 83.7 mmm -62.6 -42.35 99.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.45 -38.22 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.41 -35.82 76.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.499 0.19 . . . . 0.0 110.919 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.25 -43.35 98.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 0.0 110.292 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.88 -49.22 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.379 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -56.52 -39.11 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -67.43 -46.76 72.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.84 -33.6 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.8 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.68 89.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.788 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.81 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -88.84 -10.86 46.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.089 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.34 28.6 65.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.269 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -107.32 13.26 27.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.019 0.438 . . . . 0.0 110.621 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -84.68 116.58 23.28 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 m -110.94 157.37 38.83 Favored Pre-proline 0 C--N 1.317 -0.848 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.469 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.57 -43.75 54.98 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -69.77 -36.94 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.298 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 3.4 tppt? -59.59 -50.3 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.479 0.657 . . . . 0.0 110.299 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.58 -32.43 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.893 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.09 -43.24 87.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.9 93.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.777 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.62 -10.34 59.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.25 -51.38 12.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.663 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 26.0 mtp -82.77 -24.18 33.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.991 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.32 73.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 0.0 110.056 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.31 -47.18 77.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.387 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.23 83.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.292 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -73.61 -35.89 65.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 32.3 t -65.3 -39.07 92.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.437 0.637 . . . . 0.0 110.646 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -70.37 -27.01 64.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.903 0.382 . . . . 0.0 110.193 177.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.5 65.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 10.4 pt-20 -66.45 -40.16 89.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.252 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 44' ' ' ILE . 19.6 mt -60.66 -44.39 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.266 0.555 . . . . 0.0 110.108 175.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.07 -48.09 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.76 82.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -54.29 -68.28 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.802 0.689 . . . . 0.0 111.961 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.53 161.22 35.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB3' ' HE2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -148.27 159.03 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.373 -178.857 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.28 -34.77 0.4 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.569 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.53 -6.25 47.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.98 -153.1 6.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.005 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.8 t -126.86 -167.68 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.37 -37.0 71.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.707 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -66.31 -48.67 69.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.3 0.571 . . . . 0.0 110.321 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -44.32 91.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.631 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 85' ' ' GLU . 19.5 ptpt -63.87 -37.76 88.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.5 m -65.46 -49.77 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 m -61.92 -38.08 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.2 m -59.5 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 101' ' ' MET . 58.1 mt -66.29 -44.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.544 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.53 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.522 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -67.7 -35.03 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.742 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.85 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.343 . . . . 0.0 110.707 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 103' ' ' ASN . 26.0 mmt -64.09 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -77.69 20.78 0.32 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.486 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.7 t30 -126.67 -43.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.39 78.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.156 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.557 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 63.9 m-85 -64.4 -32.41 74.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 111.331 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? -78.3 -11.49 59.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.591 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.8 mm-40 -95.16 -34.25 12.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.385 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.06 -68.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.709 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 p -91.37 -43.54 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.057 0.456 . . . . 0.0 110.789 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.78 12.87 13.54 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.421 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -148.73 149.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG1' HD21 ' A' ' 106' ' ' LEU . 2.6 p -126.46 142.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 -176.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.16 121.53 45.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.753 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.557 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -58.8 -53.56 65.17 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.501 -176.61 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD3' ' HB2' ' A' ' 114' ' ' GLN . 88.4 Cg_exo -45.55 -44.26 17.27 Favored 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.25 1.967 . . . . 0.0 113.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.37 -48.3 81.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.17 -37.71 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -71.58 -12.41 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.465 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 25.0 mm-40 -83.69 -41.75 17.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.25 -33.49 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.362 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.4 p -66.43 -21.57 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.528 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.82 -36.83 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.04 -59.28 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.425 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.69 -35.56 60.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.872 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -73.97 -44.91 53.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.401 -176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.8 ptm -70.85 -39.13 73.13 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.27 -21.33 66.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.569 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.673 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -80.89 -19.48 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.413 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.01 83.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.144 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.69 22.71 75.45 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.51 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -81.71 12.44 3.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.64 0.733 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.045 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.533 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.421 ' O ' HG22 ' B' ' 11' ' ' THR . 4.9 p . . . . . 0 C--O 1.225 -0.208 0 N-CA-C 111.361 0.134 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.86 -26.18 44.8 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.475 2.117 . . . . 0.0 112.148 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -93.94 23.23 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.421 HG22 ' O ' ' B' ' 8' ' ' THR . 9.4 t -72.6 -24.73 61.12 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.776 177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.42 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.84 151.79 35.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.94 -36.66 84.41 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.933 2.422 . . . . 0.0 113.186 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.05 -50.45 67.58 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.063 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.29 -32.8 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.513 -0.404 . . . . 0.0 110.72 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -78.34 -31.88 48.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 110.627 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -33.8 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 175.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -55.52 -46.06 77.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.5 mmt -61.4 -50.04 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.576 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -63.15 -28.19 69.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.411 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' B' ' 27' ' ' LEU . 73.2 t80 -75.23 -53.8 8.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.5 mmm -61.2 -39.07 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.56 -33.88 76.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.66 -37.31 23.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.968 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 33' ' ' PHE . 31.3 tp -65.85 -29.29 69.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -67.83 -10.49 53.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.247 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m -104.15 13.5 32.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.57 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.65 138.54 19.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.852 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.54 -18.89 28.92 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.058 2.505 . . . . 0.0 113.43 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.66 -24.17 75.39 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.296 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' B' ' 27' ' ' LEU . 66.5 m-85 -113.44 160.72 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -128.39 172.41 11.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.9 72.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.988 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.6 m -64.04 -39.68 94.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -82.07 -43.79 17.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -30.99 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.932 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.96 -37.69 74.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.645 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -86.86 -38.36 16.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.831 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -77.02 -25.97 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -60.35 -35.89 76.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.023 0.439 . . . . 0.0 110.285 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 4.4 m -58.84 -45.83 89.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.749 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.464 HD12 HD11 ' B' ' 80' ' ' ILE . 66.2 mt -67.12 -37.69 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.62 76.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -7.98 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.421 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.3 m -83.21 -43.27 16.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.439 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 86.0 mmm -60.7 -39.47 88.63 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.96 -37.12 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.65 -31.3 66.69 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.654 0.264 . . . . 0.0 110.932 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -63.89 -44.84 91.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.65 -46.5 96.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.47 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.44 -38.89 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.352 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -66.04 -41.67 90.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.668 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.74 -35.67 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.06 97.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.59 -14.0 61.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.348 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.47 -0.33 26.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.39 28.95 70.51 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.617 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.64 20.68 18.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.252 0.548 . . . . 0.0 110.163 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.7 p -101.09 116.54 33.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.571 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' B' ' 65' ' ' LYS . 14.6 m -116.94 158.9 42.85 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.006 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.2 -44.88 45.23 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -71.75 -35.66 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.101 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' B' ' 62' ' ' SER . 9.3 tppt? -60.36 -48.03 83.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.63 -40.95 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.86 -44.46 86.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.876 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.536 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -69.61 -8.65 49.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.76 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 69' ' ' LEU . 28.0 mt -104.61 -0.96 27.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.922 0.392 . . . . 0.0 110.642 173.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.98 8.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.445 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 12.4 mtp -78.51 -28.63 46.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.215 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.39 -42.23 66.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.193 0.52 . . . . 0.0 110.478 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -69.5 -50.66 43.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.387 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -36.42 72.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.47 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -73.62 -40.12 64.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.552 ' O ' ' HG3' ' B' ' 79' ' ' GLU . 21.5 t -64.5 -36.25 83.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.259 0.552 . . . . 0.0 110.585 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -70.0 -22.17 63.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.872 0.368 . . . . 0.0 110.409 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.04 -47.39 18.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.768 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.663 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 0.0 OUTLIER -61.96 -46.7 88.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 76' ' ' SER . 22.5 mt -55.05 -45.59 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -48.07 62.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.287 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.04 69.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.512 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -68.05 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -138.93 132.08 29.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 93' ' ' LYS . 1.5 pm0 -89.84 164.47 14.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.66 -35.56 22.07 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.089 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.61 -30.75 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.719 -0.553 . . . . 0.0 111.719 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.83 163.17 54.62 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.519 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -76.91 -175.24 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.0 111.258 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.92 -38.06 84.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.092 0.472 . . . . 0.0 110.122 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.9 m -67.68 -44.2 78.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.272 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -61.77 -47.52 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.496 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' B' ' 85' ' ' GLU . 9.1 ptpp? -62.32 -35.52 79.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 110.825 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -69.69 -48.77 58.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -62.14 -34.34 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -61.13 -48.95 79.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -68.64 -46.32 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.0 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.73 83.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t -65.49 -36.57 84.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.59 67.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.691 0.282 . . . . 0.0 111.075 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.0 mmt -61.77 -37.46 84.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.12 0.486 . . . . 0.0 109.995 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -77.06 16.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.969 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.6 t30 -121.38 -41.95 2.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.27 76.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.176 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 56.6 m-85 -63.99 -36.0 82.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.147 0.498 . . . . 0.0 111.475 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.447 ' N ' HD12 ' B' ' 106' ' ' LEU . 6.3 mp -73.63 -18.79 61.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.717 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.3 mm-40 -85.39 -34.78 21.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 p -86.28 -67.43 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.489 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -88.94 -43.37 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.454 . . . . 0.0 110.596 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.11 -2.39 20.9 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -139.79 149.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 138.26 43.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.035 0.445 . . . . 0.0 111.141 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -91.29 109.62 20.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.124 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.93 -52.77 69.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 85.1 Cg_exo -47.74 -44.9 25.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.182 1.921 . . . . 0.0 112.504 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.562 ' O ' HG12 ' B' ' 120' ' ' ILE . 43.3 t80 -58.3 -53.3 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.87 -39.95 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.295 0.569 . . . . 0.0 110.667 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.94 -14.08 60.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.613 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 48.1 mm-40 -86.18 -33.88 20.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 116' ' ' PHE . 50.1 mm -63.42 -40.88 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 15.5 p -58.96 -37.44 76.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -70.7 -35.76 72.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.991 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.93 -49.68 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.5 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.29 -35.78 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.037 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -84.26 1.85 42.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.909 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 20.7 ptm -109.63 -42.67 4.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.905 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' B' ' 126' ' ' MET . 28.4 m-85 -65.36 -19.12 65.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 111.117 -177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.91 76.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -84.47 -19.24 33.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.636 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.37 -56.42 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.301 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.5 20.07 76.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.087 174.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -84.4 21.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.769 0.795 . . . . 0.0 110.835 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.135 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.729 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' THR . 1.3 p . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 15.6 Cg_exo -69.05 -23.77 33.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.281 1.987 . . . . 0.0 112.26 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -103.12 13.35 34.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 8' ' ' THR . 11.0 t -85.88 -3.28 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.628 0.728 . . . . 0.0 109.254 174.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.12 123.65 12.51 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.894 -174.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.97 -41.51 78.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.319 2.013 . . . . 0.0 111.278 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -37.18 94.06 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -78.33 -34.05 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.245 -0.562 . . . . 0.0 110.642 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.27 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.92 -37.84 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.292 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -67.44 -24.31 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -58.06 -46.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.098 0.475 . . . . 0.0 109.938 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.49 -41.74 75.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.317 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -59.7 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.878 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -72.46 -15.57 61.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.496 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 69.9 t80 -82.86 -54.28 5.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.272 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.2 mmm -61.48 -36.25 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.25 -28.32 67.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.941 0.4 . . . . 0.0 110.752 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.55 -33.72 5.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.209 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.4 tp -67.97 -34.92 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.759 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 6.8 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 111.321 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -117.85 5.93 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.259 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.8 mmt -92.66 142.27 25.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 -23.72 26.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.854 2.369 . . . . 0.0 112.835 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.23 -8.1 73.84 Favored Glycine 0 C--O 1.238 0.358 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 27' ' ' LEU . 74.5 m-85 -126.76 150.9 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.168 0.509 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -117.07 170.9 8.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.809 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.28 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 0.0 111.038 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -61.55 -41.64 97.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -76.93 -40.74 46.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.979 0.419 . . . . 0.0 110.479 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.16 -34.04 76.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.004 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.01 -41.54 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 5.5 t0 -75.12 -44.76 45.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -175.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ptp -73.32 -26.62 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.684 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -63.07 -31.51 72.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -64.69 -46.44 82.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.132 0.492 . . . . 0.0 109.983 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.533 HD12 HD11 ' A' ' 80' ' ' ILE . 71.8 mt -64.22 -42.3 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.092 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.95 -57.98 5.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.45 -36.61 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.381 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.5 m -64.19 -36.82 85.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.7 mmm -75.05 -41.25 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.4 t -57.21 -52.21 59.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.336 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.97 -28.16 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.35 -43.33 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 70.9 mm-40 -58.33 -43.45 88.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.528 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 m -65.93 -33.2 75.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.1 -37.35 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.54 71.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.07 -32.37 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.283 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -85.68 -26.45 25.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.02 51.91 2.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.709 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 31.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 111.254 175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -84.97 117.5 23.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.388 . . . . 0.0 110.673 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -124.08 152.46 67.04 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.392 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -52.94 -46.89 30.66 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.105 2.536 . . . . 0.0 112.41 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -69.07 -40.8 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.347 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -64.43 -35.39 80.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.216 0.532 . . . . 0.0 110.274 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.19 -39.13 63.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.44 -44.9 89.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.686 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.38 75.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.976 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.9 -34.62 74.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -58.23 -47.44 83.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.879 0.371 . . . . 0.0 110.292 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -42.33 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.832 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -53.27 -45.05 68.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.379 . . . . 0.0 110.781 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 77' ' ' MET . 76.3 t80 -65.88 -50.4 64.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.661 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.51 75.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -71.16 -38.18 72.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.808 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 80' ' ' ILE . 32.3 t -65.64 -41.89 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.21 0.529 . . . . 0.0 110.075 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -61.15 -27.36 68.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.91 0.386 . . . . 0.0 110.395 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -48.21 23.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 79' ' ' GLU . 1.4 pp20? -69.52 -33.78 73.31 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.533 HD11 HD12 ' A' ' 44' ' ' ILE . 27.3 mt -59.52 -42.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 173.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.57 -48.42 19.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.909 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.21 73.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.564 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.658 ' HB3' ' OD1' ' A' ' 133' ' ' ASN . 42.0 m -78.6 -61.29 2.06 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -122.55 132.38 54.28 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.29 174.53 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.7 -65.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.102 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.13 3.1 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.46 117.67 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 p -66.1 164.15 16.07 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.526 0.33 . . . . 0.0 111.622 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 3.2 tm? -53.23 -51.77 61.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.392 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -63.15 -41.18 99.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.7 m -63.02 -50.75 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.2 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -173.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 m -67.47 -45.16 76.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.13 0.49 . . . . 0.0 110.109 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -65.67 -34.65 78.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.154 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -59.29 -47.16 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.08 -50.93 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.0 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.483 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 t -66.29 -35.21 79.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.9 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.31 -32.18 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.288 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 mmt -60.33 -51.85 67.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.104 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 p -62.51 -30.83 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.767 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.2 t30 -64.0 -45.12 90.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.73 75.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.789 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.615 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 61.3 m-85 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.997 0.427 . . . . 0.0 111.247 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.23 -24.09 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.4 mm-40 -84.47 -24.89 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -94.25 -77.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.878 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.9 t -88.14 -35.67 17.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.191 -177.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.09 19.34 12.85 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.378 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.615 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.2 p -148.27 147.81 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.28 124.62 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.64 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 116' ' ' PHE . 62.0 t30 -75.73 98.85 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 52.8 tt0 -58.94 -52.92 71.38 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.764 -170.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 14.7 Cg_endo -57.28 -26.55 70.83 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.108 1.872 . . . . 0.0 112.516 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.465 ' O ' HG12 ' A' ' 120' ' ' ILE . 66.0 t80 -66.27 -49.19 67.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.383 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.55 -33.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.207 0.527 . . . . 0.0 110.304 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.669 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -85.03 -35.08 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.797 0.332 . . . . 0.0 110.361 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.0 mm -61.37 -38.21 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.7 p -64.28 -37.74 88.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.34 -34.99 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.99 -49.43 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.5 t -65.69 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.21 0.528 . . . . 0.0 110.275 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.3 t -76.45 -16.99 59.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.862 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -96.86 -43.53 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.231 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -65.93 -16.93 64.31 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.608 0.242 . . . . 0.0 111.329 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.19 77.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.233 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -83.85 -16.84 43.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.729 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -69.61 0.35 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 53.52 53.07 37.43 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 116.013 -0.54 . . . . 0.0 113.198 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 21.42 1.42 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.877 0.846 . . . . 0.0 110.719 -175.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.658 ' OD1' ' HB3' ' A' ' 83' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.66 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' LEU . 27.4 Cg_exo -63.59 -8.32 14.9 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.706 2.271 . . . . 0.0 112.463 176.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -125.24 24.44 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.372 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.6 t -62.64 -24.57 67.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -174.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.477 ' HB2' HD23 ' B' ' 15' ' ' LEU . 17.6 m120 -132.88 153.93 81.21 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.32 -28.22 33.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.97 2.446 . . . . 0.0 112.895 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.52 47.87 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.7 mm? -76.06 -34.13 59.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.176 0.512 . . . . 0.0 109.745 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.82 85.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.842 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.05 -33.68 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.59 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -62.3 -35.94 80.58 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.838 0.351 . . . . 0.0 110.644 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.71 -43.06 98.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.331 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.0 mtt -71.68 -44.19 64.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.492 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -57.53 -50.43 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.862 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -64.57 -20.74 66.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.17 -52.5 6.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.014 0.435 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mmm -67.46 -28.87 68.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -71.99 -20.6 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 0.0 111.096 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.58 -28.66 6.23 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 33' ' ' PHE . 35.7 tp -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 110.759 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.0 p -61.11 -20.59 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 66.2 m -114.4 16.7 17.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.822 0.344 . . . . 0.0 111.536 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.1 mmt -81.39 138.77 48.13 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.535 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.04 -17.46 40.82 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 122.953 2.436 . . . . 0.0 113.323 -174.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -13.44 75.92 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.455 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' B' ' 27' ' ' LEU . 31.8 m-85 -118.02 163.88 15.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.598 -176.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 64.0 p -122.97 151.05 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.572 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.65 -36.4 71.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.646 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -66.12 -26.34 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.658 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.452 ' NE2' ' HG3' ' B' ' 84' ' ' GLU . 94.7 mt-30 -88.23 -30.57 19.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.638 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.84 -18.31 64.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.823 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -29.53 67.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.929 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -86.04 -38.8 17.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.7 ptm -84.41 -26.43 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.548 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -65.02 -31.88 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 110.527 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -60.68 -41.01 94.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.007 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.561 HD12 HD11 ' B' ' 80' ' ' ILE . 55.7 mt -68.92 -39.09 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.008 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -51.79 -56.78 11.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.094 0.473 . . . . 0.0 110.171 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.47 -40.14 90.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.641 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -63.31 -37.96 89.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.009 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 71.0 mmm -72.33 -40.96 67.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.614 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.2 t -55.32 -55.08 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.948 175.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -66.69 -33.05 74.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -61.15 -45.9 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 0.0 109.924 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.72 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.976 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 77.3 mm-40 -58.08 -38.8 77.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.137 0.494 . . . . 0.0 110.163 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -66.44 -37.52 85.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.9 -33.55 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.63 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' OG1' ' B' ' 61' ' ' THR . . . -69.5 -43.86 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.58 76.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.267 0.556 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.69 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.817 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.93 51.17 1.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.954 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 60' ' ' ARG . 0.0 OUTLIER -133.09 25.05 4.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.091 0.472 . . . . 0.0 110.373 174.692 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -92.04 123.06 35.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.218 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.9 m -140.7 154.93 69.49 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.181 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.78 -33.59 71.32 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 112.708 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.81 -53.75 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.529 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.422 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 21.2 mtpp -66.69 -31.22 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.049 -178.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.83 -29.64 64.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.301 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -67.15 -42.83 83.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.102 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.71 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.63 -20.27 54.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.283 0.563 . . . . 0.0 109.739 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -67.29 -50.56 59.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.0 mmm -68.0 -37.12 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.883 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.74 -45.81 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.809 0.338 . . . . 0.0 110.495 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.72 -50.73 61.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.23 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.407 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -75.07 -36.87 61.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 19.2 t -63.27 -44.97 93.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.105 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mmt -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.363 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.07 -52.03 10.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.013 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 79' ' ' GLU . 1.8 pp20? -64.73 -38.87 92.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.561 HD11 HD12 ' B' ' 44' ' ' ILE . 19.8 mt -59.35 -45.92 92.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.459 0.647 . . . . 0.0 109.941 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.82 78.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.533 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.74 74.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.403 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -73.23 -66.2 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.086 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' NE2' ' B' ' 37' ' ' GLN . 8.2 tp10 -91.49 124.21 35.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.993 0.425 . . . . 0.0 111.401 -172.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -83.69 151.48 25.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.43 -135.67 5.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.579 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.47 12.1 59.82 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.394 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.97 19.43 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.696 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' B' ' 92' ' ' THR . 19.0 m -62.96 158.22 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.808 0.337 . . . . 0.0 111.09 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 2.1 tm? -54.88 -51.15 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.007 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.36 -36.33 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' B' ' 89' ' ' SER . 10.1 m -62.73 -48.65 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.298 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 90' ' ' LEU . 2.0 ptmm? -73.06 -13.57 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.944 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -77.78 -48.73 15.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 109.845 173.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -64.39 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.805 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -55.54 -47.03 76.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.07 -43.74 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.09 75.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.589 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 7.2 t -67.85 -40.18 83.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.427 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -66.52 -37.53 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.158 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.07 -48.45 76.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.455 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.1 m -57.39 -40.24 77.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.917 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 18.6 t30 -56.72 -55.61 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.968 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.93 -38.35 56.1 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.8 m-85 -67.03 -34.22 77.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.091 0.472 . . . . 0.0 111.213 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -74.97 -23.19 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.871 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 76.4 mm-40 -84.38 -28.24 27.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -86.75 -66.25 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 111.645 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.8 t -106.01 -35.99 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.241 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.64 4.33 23.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.223 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.6 p -139.13 150.78 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -107.71 137.3 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.765 0.317 . . . . 0.0 110.743 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -80.69 116.38 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 47.7 tt0 -57.34 -56.84 29.69 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.321 -174.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.56 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 20.5 Cg_endo -60.2 -33.33 94.94 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.81 1.673 . . . . 0.0 112.269 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.596 ' O ' HG12 ' B' ' 120' ' ' ILE . 21.5 t80 -57.66 -55.93 28.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 42.4 mm -60.27 -38.4 77.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.937 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.6 -45.24 87.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 44.1 mm-40 -59.06 -41.56 88.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.526 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 116' ' ' PHE . 38.1 mm -60.89 -46.42 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 67.6 p -63.52 -36.21 83.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.747 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.46 -31.72 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.672 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 119' ' ' GLU . 96.4 mt -61.36 -50.37 73.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 110.384 175.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.37 -35.63 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.284 0.564 . . . . 0.0 110.15 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -76.13 -9.09 58.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.104 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 25.8 ptm -105.77 -45.34 4.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.036 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -63.97 -25.85 68.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.97 77.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.913 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.71 -19.17 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.534 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.79 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.01 25.37 75.45 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.163 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -79.47 10.3 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.724 0.773 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.098 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.63 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.581 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.9 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 30.5 Cg_endo -64.93 -7.48 15.28 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.359 2.039 . . . . 0.0 112.685 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 9' ' ' PRO . 13.3 p90 -127.64 16.19 6.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.558 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.581 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 15.0 t -75.06 -16.98 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.456 HD22 HG23 ' A' ' 11' ' ' THR . 12.0 p30 -150.8 150.83 29.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 50.5 Cg_exo -54.0 -37.34 86.17 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.954 2.436 . . . . 0.0 112.483 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.92 47.28 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.809 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.083 0.441 . . . . 0.0 110.728 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.31 98.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.212 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 12.3 pt-20 -79.48 -37.31 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.005 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -66.33 -29.7 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.35 -0.219 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -54.1 -44.49 71.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.191 0.52 . . . . 0.0 110.281 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.7 mtt -70.11 -43.34 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.591 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.617 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 39.3 m-80 -61.25 -52.37 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.919 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -65.92 -24.96 66.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.352 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.6 t80 -63.37 -51.37 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.487 176.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.5 mmm -66.25 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.104 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 75.4 mt-30 -62.47 -29.3 70.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.65 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.91 -34.23 6.04 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.478 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD22 ' CE2' ' A' ' 23' ' ' PHE . 39.7 tp -71.96 -27.6 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 111.015 -176.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -63.53 -19.87 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -107.35 18.88 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.9 mmt -103.48 148.01 35.08 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.363 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.13 165.78 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.498 2.132 . . . . 0.0 111.414 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.92 -49.67 1.4 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.9 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.15 130.63 38.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.769 0.318 . . . . 0.0 110.588 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.5 p -91.15 173.45 7.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.296 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.32 67.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 p -93.55 -30.11 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.895 0.855 . . . . 0.0 109.302 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 80' ' ' ILE . 5.5 tp-100 -69.0 -48.87 62.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.258 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.37 -36.78 78.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.145 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -80.19 -42.19 23.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.075 0.464 . . . . 0.0 110.093 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.7 ptm -76.34 -23.36 54.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.784 -176.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -62.02 -24.05 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.637 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' B' ' 65' ' ' LYS . 7.1 m -66.0 -40.86 91.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.132 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' A' ' 47' ' ' SER . 19.9 mt -65.09 -33.19 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -58.47 -41.05 84.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.797 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -12.1 39.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.303 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 24.4 p -89.12 -33.84 16.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.3 mmm -70.79 -37.88 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.577 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' ALA . 26.8 m -66.94 -32.68 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.532 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -68.17 -38.56 82.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.572 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m -58.18 -45.47 87.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.01 0.433 . . . . 0.0 110.105 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.86 -49.15 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.865 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.41 -39.15 86.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.83 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -61.23 -39.32 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.198 0.523 . . . . 0.0 110.201 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 67.5 mt -77.52 -35.16 53.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.064 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.18 95.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 0.0 110.69 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -26.84 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -98.61 4.36 48.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.376 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.95 84.27 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.556 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 18.7 mmm180 -100.02 -4.04 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.049 0.452 . . . . 0.0 110.11 -177.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 144.6 38.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.261 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.9 m -152.96 150.46 24.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.954 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.69 -43.43 51.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.017 2.478 . . . . 0.0 112.681 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -66.04 -48.25 71.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.128 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.41 -39.27 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.616 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.8 tt0 -58.04 -43.36 86.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.645 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.99 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.657 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.3 mt -105.56 -2.83 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.324 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -53.35 8.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.151 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 27.7 mtp -79.67 -24.15 42.0 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.887 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -53.12 -39.41 63.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -77.98 -41.19 36.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.442 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.23 -37.26 84.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 m -78.45 -34.15 47.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.614 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 3.5 p -70.92 -31.4 68.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.727 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.47 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 27.7 mmt -64.49 -35.72 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.17 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.26 -37.33 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.312 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 76.6 tt0 -59.61 -33.27 71.27 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.061 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 37' ' ' GLN . 14.2 mt -84.35 -44.34 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.37 90.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.949 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.11 61.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.64 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -81.44 -56.81 3.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 111.275 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -130.22 169.16 15.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.545 0.688 . . . . 0.0 112.363 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 11.0 pt-20 -161.29 -171.18 2.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.593 177.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 -33.68 0.25 Allowed Glycine 0 C--O 1.227 -0.292 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.9 14.42 57.37 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.62 179.09 41.75 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -103.62 -172.6 2.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.228 0.514 . . . . 0.0 110.845 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.44 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 59.2 tp -59.32 -38.84 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.044 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -71.55 -36.14 70.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.137 0.494 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -65.75 -50.81 63.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.153 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 85' ' ' GLU . 18.2 ptpt -61.41 -36.9 81.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -67.04 -42.89 84.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 t -63.01 -38.99 93.4 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.036 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.2 m -64.6 -47.64 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.305 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.44 -45.76 89.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.699 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.98 82.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 t -72.86 -25.05 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.294 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.86 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.501 ' SD ' HG13 ' A' ' 120' ' ' ILE . 39.0 mtt -69.79 -44.18 70.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 p -58.89 -38.44 78.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.438 0.637 . . . . 0.0 110.162 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.1 t30 -62.41 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.036 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.9 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.324 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.587 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 49.0 m-85 -62.69 -38.06 88.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 0.0 110.998 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.74 -24.84 59.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 80.1 mm-40 -76.87 -37.83 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 p -81.75 -78.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.154 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -94.18 -25.36 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.215 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.06 16.43 21.22 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.137 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -154.2 146.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -118.51 137.05 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.032 0.444 . . . . 0.0 111.234 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -88.26 120.45 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.942 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.508 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 35.5 tt0 -64.87 -51.21 58.6 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -174.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.1 Cg_exo -50.07 -41.69 48.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.006 1.804 . . . . 0.0 112.649 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 120' ' ' ILE . 23.6 t80 -53.39 -53.16 55.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.789 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.62 -31.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.871 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -68.41 -47.27 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 0.0 111.362 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.7 mm -60.54 -39.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.554 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.3 p -63.91 -34.37 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.284 0.564 . . . . 0.0 110.477 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -70.94 -38.44 72.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.32 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.24 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.92 -41.77 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.819 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -68.86 -49.91 54.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.132 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -63.88 -40.7 97.15 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -63.41 -35.37 80.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.675 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.19 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.725 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -74.49 -27.42 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.091 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.25 97.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.02 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.13 11.25 70.06 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.142 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -75.98 -3.71 37.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.681 0.753 . . . . 0.0 110.944 -177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.583 177.707 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.485 ' O ' HG22 ' B' ' 11' ' ' THR . 1.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.46 -14.18 43.6 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.295 1.997 . . . . 0.0 112.091 176.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 31.9 p90 -120.29 19.02 12.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.485 HG22 ' O ' ' B' ' 8' ' ' THR . 10.3 t -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.698 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' B' ' 11' ' ' THR . 11.1 p30 -149.17 152.75 36.76 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.0 -31.31 92.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.85 2.367 . . . . 0.0 112.75 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -44.86 95.44 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.473 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.52 -33.69 62.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.5 -0.412 . . . . 0.0 110.639 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.91 94.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.29 -32.64 62.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.623 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.59 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -58.04 -44.12 87.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtt -76.19 -43.72 41.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.057 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 32.6 m-80 -63.21 -48.84 76.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.4 m -61.98 -29.58 70.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 111.102 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CE2' HD22 ' B' ' 27' ' ' LEU . 81.5 t80 -64.32 -52.24 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -65.19 -34.8 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.373 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 54.7 mt-30 -61.4 -33.52 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.172 0.51 . . . . 0.0 110.977 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -90.4 -27.26 20.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.401 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' B' ' 23' ' ' PHE . 32.9 tp -75.61 -26.61 57.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.8 p -63.38 -23.29 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.29 0.567 . . . . 0.0 110.655 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -102.69 24.37 10.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.461 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 21.9 mmt -114.26 138.89 23.2 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.803 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.66 133.54 11.63 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.425 2.083 . . . . 0.0 110.487 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLY . . . . . 0.557 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 141.64 -32.99 2.0 Favored Glycine 0 N--CA 1.439 -1.124 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.548 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -107.42 149.3 28.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.939 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.45 ' OG1' ' HB2' ' B' ' 37' ' ' GLN . 81.9 p -87.4 169.66 12.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.271 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -11.05 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.954 0.407 . . . . 0.0 111.197 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -97.45 -37.1 10.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.719 0.771 . . . . 0.0 109.036 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.45 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 0.4 OUTLIER -62.62 -51.64 66.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.571 -179.145 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -38.24 82.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.01 -44.19 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.192 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.87 -45.93 59.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.52 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 14.1 ptm -68.74 -27.42 65.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -33.94 71.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.566 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.5 m -66.58 -41.44 88.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.592 HD12 HD11 ' B' ' 80' ' ' ILE . 36.9 mt -70.53 -34.59 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.999 0.428 . . . . 0.0 110.434 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.1 91.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -12.25 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 48.2 p -87.21 -34.49 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.345 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.8 mmm -63.43 -43.82 96.36 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.274 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.38 -38.54 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.825 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -70.33 -34.94 73.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.816 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -61.81 -45.58 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.54 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.64 -34.82 76.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -66.92 -45.9 76.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.212 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -38.79 92.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.1 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.36 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.514 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -83.81 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.498 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 38.05 56.22 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.195 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -104.23 -7.67 19.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.14 140.5 50.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.221 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 m -153.35 161.08 30.04 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.06 -47.81 22.25 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.749 2.299 . . . . 0.0 112.406 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.188 0.518 . . . . 0.0 110.132 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HD2' ' HB ' ' A' ' 43' ' ' THR . 2.0 tppt? -59.07 -43.96 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.097 -175.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.08 -36.53 66.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.934 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.98 -45.7 80.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 4.33 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.403 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.21 9.47 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -59.06 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.405 176.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.439 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 22.6 mtp -78.2 -19.02 54.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.23 -38.86 69.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.19 0.519 . . . . 0.0 109.949 170.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' B' ' 77' ' ' MET . 84.0 t80 -76.85 -42.67 39.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.251 176.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' B' ' 71' ' ' MET . . . -60.65 -38.92 86.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.751 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.4 m -77.64 -38.39 48.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.529 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.9 p -66.47 -33.55 75.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.2 0.524 . . . . 0.0 110.905 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 28.9 mmt -71.24 -25.5 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.83 -43.93 34.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -65.89 -28.06 68.67 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.992 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.592 HD11 HD12 ' B' ' 44' ' ' ILE . 18.1 mt -73.82 -47.78 42.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 121.166 0.508 . . . . 0.0 110.251 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.04 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.034 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.14 -14.62 62.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.022 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t -72.59 -62.72 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.581 0.229 . . . . 0.0 111.252 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -120.23 153.35 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.348 0.594 . . . . 0.0 111.764 -175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.08 -165.29 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.09 -58.37 0.56 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.763 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.1 26.52 15.04 Favored Glycine 0 CA--C 1.503 -0.661 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.557 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.72 135.23 2.78 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.083 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 t -83.11 169.47 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.74 -42.93 94.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.895 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.6 t -69.12 -37.7 78.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.878 0.371 . . . . 0.0 110.16 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -54.96 39.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.965 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.489 ' O ' HG13 ' B' ' 97' ' ' ILE . 18.1 ptpt -63.22 -36.69 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.163 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 82.7 m -64.59 -45.82 85.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.993 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -62.99 -40.14 96.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.017 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 68.0 m -63.89 -45.59 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.485 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 93' ' ' LYS . 39.1 mt -57.36 -49.89 78.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.608 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.22 77.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.65 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -60.48 -45.4 93.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.59 84.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.958 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 45.6 mtt -66.4 -45.49 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.349 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.1 p -61.21 -29.56 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.256 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -70.66 -41.99 71.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.35 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.868 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 38.7 m-85 -63.09 -38.74 92.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.189 0.518 . . . . 0.0 111.208 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.73 -24.03 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.768 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.8 mm-40 -79.72 -34.57 39.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.4 p -83.0 -71.47 0.49 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.366 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.2 t -101.38 -21.03 14.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.408 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.98 5.99 49.54 Favored Glycine 0 CA--C 1.506 -0.477 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.72 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 14.5 p -141.71 150.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 3.3 p -119.85 128.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 0.0 111.368 -175.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -73.8 101.53 3.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.969 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.474 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.9 tt0 -56.94 -47.01 99.8 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.271 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 57.7 Cg_exo -54.46 -43.55 57.8 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.862 1.708 . . . . 0.0 112.114 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.467 ' O ' HG12 ' B' ' 120' ' ' ILE . 25.1 t80 -55.11 -53.39 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.627 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.92 -36.96 76.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.115 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -67.44 -38.14 84.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 40.2 mm-40 -64.21 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 110.96 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 116' ' ' PHE . 41.7 mm -62.07 -35.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 72.4 p -63.27 -26.21 68.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.041 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -79.16 -37.72 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.553 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 126' ' ' MET . 97.1 mt -57.64 -50.05 74.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.479 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.64 -31.97 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -83.17 -37.13 24.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.929 -176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' MET . . . . . 0.461 ' HA ' ' OE1' ' B' ' 129' ' ' GLN . 27.5 ptm -66.33 -46.61 76.26 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.337 -0.227 . . . . 0.0 111.266 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -62.44 -26.14 68.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.28 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.812 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' B' ' 126' ' ' MET . 29.9 mt-30 -83.58 -27.66 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.77 -44.84 88.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.73 72.9 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.122 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -76.76 1.91 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.274 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.616 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 7.7 p30 . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.35 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.29 -15.72 50.03 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.237 1.958 . . . . 0.0 112.217 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -122.0 21.53 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.078 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 HD22 ' A' ' 12' ' ' ASN . 9.2 t -67.9 -20.65 65.12 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.459 HD22 HG23 ' A' ' 11' ' ' THR . 11.8 p30 -157.75 157.15 29.54 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.6 Cg_exo -53.73 -32.16 64.42 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.132 2.555 . . . . 0.0 113.199 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.73 -0.89 35.2 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 113.411 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.03 -33.5 3.93 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.626 -0.337 . . . . 0.0 110.299 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.4 91.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.301 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -75.69 -36.66 59.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.858 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.34 -35.92 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.57 -57.66 10.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.022 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 21.1 ptp -73.1 -28.22 62.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.512 -173.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 21.0 m-80 -67.53 -43.61 80.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.771 0.32 . . . . 0.0 110.466 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -72.49 -23.77 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.38 -50.43 71.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.219 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.4 mmm -64.69 -30.08 71.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.176 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 84.6 mm-40 -59.97 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -22.86 52.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.499 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 33' ' ' PHE . 48.6 tp -77.47 -25.74 50.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.965 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.3 p -73.48 -1.89 20.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -120.82 15.54 11.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 mmt -90.6 129.96 42.96 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.87 -26.64 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.192 2.595 . . . . 0.0 113.454 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.33 -7.75 85.16 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.768 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 27' ' ' LEU . 14.2 m-85 -106.49 170.46 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.542 0.687 . . . . 0.0 112.488 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.3 p -116.79 154.4 30.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.919 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.18 66.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.349 . . . . 0.0 111.44 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -74.76 -50.35 17.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -66.27 -32.07 73.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.354 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.7 mt -61.77 -30.97 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.26 -47.26 71.23 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.261 0.553 . . . . 0.0 110.239 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.43 -50.75 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.254 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.53 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 11.3 ptm -71.37 -26.52 62.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.595 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -64.54 -32.18 73.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.283 0.563 . . . . 0.0 109.731 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.8 m -67.89 -39.32 83.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.486 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.95 -38.71 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.41 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.2 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.369 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -5.2 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 0.0 111.659 -178.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' B' ' 51' ' ' SER . 56.3 m -86.6 -38.42 17.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 86.4 mmm -67.08 -40.26 86.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.0 -32.12 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.71 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.37 -37.8 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 47' ' ' SER . 15.2 m -67.85 -41.6 82.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.489 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.37 -48.35 88.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -60.07 -43.22 95.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.44 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 m -63.1 -44.97 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.835 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.94 -34.03 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.893 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.83 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.66 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.186 0.517 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -83.44 -14.48 52.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.115 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.64 30.18 60.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.313 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -107.22 10.39 29.94 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.026 0.441 . . . . 0.0 110.587 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -80.31 135.07 36.14 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.527 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -132.47 156.02 80.58 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.89 -27.28 52.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.748 2.299 . . . . 0.0 111.69 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.62 -60.9 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.432 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.86 -30.31 66.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.631 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.31 -34.23 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 110.004 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.562 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.6 tt0 -80.37 -42.41 22.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.47 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -58.18 -38.09 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.227 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.97 -0.91 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 5.3 m-20 -86.96 -44.82 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.7 mmm -73.27 -40.11 64.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -55.27 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.715 175.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.6 t80 -78.64 -48.08 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.405 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.48 -33.43 69.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.976 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 123' ' ' LEU . 5.2 p -78.05 -39.01 43.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.748 -175.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 6.3 p -70.44 -29.26 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -69.06 -37.71 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.7 98.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.164 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 76' ' ' SER . 20.6 tt0 -54.29 -62.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.724 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.13 -36.16 55.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.571 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.85 20.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.62 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.54 63.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.353 -175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -63.84 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.66 132.16 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 111.72 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.65 -22.64 12.43 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.332 -171.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.85 46.85 0.22 Allowed Glycine 0 C--N 1.298 -1.556 0 CA-C-N 113.348 -1.751 . . . . 0.0 115.289 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.99 -53.0 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.91 -170.66 22.14 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 43.2 t -65.26 160.74 20.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.09 -36.72 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.686 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.0 m -64.41 -53.5 47.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.94 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 89' ' ' SER . 14.8 ptmt -61.78 -37.4 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -68.33 -45.62 72.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.075 0.464 . . . . 0.0 110.917 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -70.14 -23.43 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.7 m -61.08 -43.92 98.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.9 mt -67.35 -45.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.177 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.97 -44.27 82.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.515 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.11 77.31 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.354 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 mmt -65.4 -44.83 86.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -59.44 -38.95 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.031 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.82 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.552 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.624 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 47.1 m-85 -66.4 -31.73 72.67 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.085 0.469 . . . . 0.0 111.128 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.58 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.4 mm-40 -94.03 -14.64 25.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.947 0.403 . . . . 0.0 110.857 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 p -107.81 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.889 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -95.94 -31.97 12.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.387 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.16 15.73 22.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.7 p -150.85 148.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.9 t -97.0 132.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.156 -175.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -83.83 100.97 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 47.4 tt0 -61.69 -47.22 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 81.9 Cg_exo -48.3 -47.33 20.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.012 1.808 . . . . 0.0 112.398 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.2 t80 -51.87 -48.6 63.98 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.322 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.03 -30.18 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -82.1 -14.11 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.476 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.53 -34.96 19.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.894 0.378 . . . . 0.0 110.663 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.502 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.1 mm -62.93 -36.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.117 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 p -62.11 -35.31 78.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.011 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -70.08 -37.65 75.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 75' ' ' SER . 97.3 mt -61.6 -50.72 71.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.001 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -70.68 -25.21 62.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.738 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.1 ptm -90.34 -40.76 11.91 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.602 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.95 -17.87 64.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 111.551 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.07 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.679 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -78.16 -26.01 47.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.388 . . . . 0.0 110.868 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.883 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 60.72 47.21 92.35 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.3 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -78.0 8.75 4.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.59 0.71 . . . . 0.0 111.216 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.591 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.428 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.89 -9.21 18.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.379 2.053 . . . . 0.0 112.453 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -129.45 22.51 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -70.06 -17.3 63.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.075 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -148.34 155.82 42.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.999 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 54.1 Cg_exo -55.43 -35.86 92.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.11 -52.85 44.19 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.341 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.41 -33.55 65.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.961 0.381 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.82 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 10.9 pt-20 -75.24 -38.85 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.298 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -56.39 -35.65 67.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.457 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -55.51 -56.84 15.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.01 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 19.8 ptp -73.3 -27.44 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 19.0 m-80 -65.83 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.517 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 m -72.24 -30.6 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.426 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 65.9 t80 -58.98 -49.73 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' MET . . . . . 0.454 ' HE1' ' HG3' ' B' ' 41' ' ' MET . 78.3 mmm -61.5 -32.42 72.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.348 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 72.5 mm-40 -62.64 -43.61 98.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.19 -31.86 41.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.77 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' B' ' 33' ' ' PHE . 48.0 tp -76.19 -19.66 58.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.702 -0.293 . . . . 0.0 111.377 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -61.28 -13.22 17.24 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -138.78 37.11 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 111.364 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.14 138.62 27.3 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.497 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.91 -25.69 67.12 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.4 2.734 . . . . 0.0 113.447 -173.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.46 2.2 88.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' B' ' 27' ' ' LEU . 28.2 m-85 -122.5 169.66 10.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -131.44 161.45 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.303 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -36.41 75.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.5 t -58.51 -42.82 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.27 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -74.18 -46.71 40.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.478 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' B' ' 33' ' ' PHE . 4.4 mm? -58.91 -40.32 84.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.588 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.56 -37.34 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.751 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -92.76 -37.74 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.203 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' B' ' 24' ' ' MET . 18.8 ptm -70.29 -22.98 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.2 t -64.32 -27.32 68.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.052 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 30.4 m -72.61 -32.05 65.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.846 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mt -66.8 -38.9 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.29 -57.43 6.83 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.277 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 43' ' ' THR . 1.7 pp0? -74.29 -5.82 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 -176.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 51' ' ' SER . 71.1 m -87.26 -35.93 18.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.56 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.464 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 83.5 mmm -69.07 -35.75 76.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -64.94 -29.71 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.476 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -69.45 -38.36 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.444 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 47' ' ' SER . 4.3 m -59.13 -47.66 84.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.229 0.537 . . . . 0.0 109.955 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.38 -51.9 67.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.31 -38.99 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.1 m -64.6 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.09 -36.16 77.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.71 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -42.34 82.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.4 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -96.1 -0.52 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.18 39.66 92.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.81 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -117.72 9.98 13.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -85.84 140.24 30.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.307 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 87.4 p -143.57 156.85 59.84 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.12 -30.08 69.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 111.874 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.63 -55.0 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.82 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -75.06 -21.58 58.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.42 -41.26 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.6 tt0 -63.5 -45.28 91.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.762 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.65 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.146 0.498 . . . . 0.0 111.278 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -9.11 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.566 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 4.5 m-20 -77.58 -44.43 28.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.0 -38.7 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.358 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.71 -32.77 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.112 0.482 . . . . 0.0 111.256 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.408 ' N ' ' HE2' ' B' ' 48' ' ' MET . 72.6 t80 -76.42 -44.63 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.073 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.457 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.32 -36.37 77.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -75.13 -37.64 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.186 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 3.8 t -69.5 -31.01 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.464 0.649 . . . . 0.0 110.445 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.478 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.5 mmt -76.01 -17.84 59.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.167 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.32 -38.02 31.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.95 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.7 pt-20 -67.53 -44.68 77.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.53 -38.06 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.306 0.574 . . . . 0.0 110.282 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.41 -53.32 19.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.971 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.08 -37.67 61.87 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -62.76 -73.71 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.573 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.67 131.51 35.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.1 -31.39 27.3 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.086 0.946 . . . . 0.0 110.781 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.08 -119.35 15.65 Favored Glycine 0 C--N 1.296 -1.684 0 CA-C-N 113.459 -1.7 . . . . 0.0 112.479 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.02 18.22 19.13 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.491 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.37 163.85 21.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.574 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 17.1 t -81.35 172.66 13.31 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.47 -39.89 89.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -69.78 -35.25 74.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.102 0.477 . . . . 0.0 110.55 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -64.75 -53.14 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.098 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 89' ' ' SER . 19.4 ptmt -63.96 -41.4 97.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.44 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 62.8 m -62.18 -45.51 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.611 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -70.15 -25.1 63.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.2 m -62.63 -44.03 97.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.612 0.244 . . . . 0.0 111.204 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.08 -46.18 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.2 71.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.116 0.484 . . . . 0.0 110.774 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 73.4 m -60.0 -55.14 37.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.291 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.751 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.11 -44.48 92.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 25.3 m -58.39 -39.58 80.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.941 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.4 t30 -65.86 -43.57 88.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.132 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.39 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.696 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.561 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.9 m-85 -68.41 -35.32 77.48 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.276 0.56 . . . . 0.0 110.949 177.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 102' ' ' SER . 96.5 mt -71.46 -24.93 62.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.721 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 72.4 mm-40 -83.62 -31.25 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.931 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.89 -71.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.677 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.434 HG23 ' H ' ' B' ' 111' ' ' VAL . 6.6 t -98.42 -30.93 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.304 -176.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.63 8.41 24.64 Favored Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.3 -0.953 . . . . 0.0 111.62 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.1 p -147.59 149.31 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.0 p -108.24 129.76 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.415 0.626 . . . . 0.0 111.918 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.475 ' O ' HG12 ' B' ' 117' ' ' ILE . 26.3 t-20 -79.1 122.15 25.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.222 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 97.9 mt-30 -70.39 -53.48 10.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -173.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 3.0 Cg_endo -45.32 -50.74 8.71 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.256 1.971 . . . . 0.0 112.707 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 120' ' ' ILE . 38.0 t80 -50.13 -51.77 40.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.655 0.597 . . . . 0.0 111.159 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 113' ' ' ASN . 33.2 mm -63.34 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.15 -4.57 53.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.463 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -93.8 -31.81 14.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 110.62 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' B' ' 116' ' ' PHE . 27.1 mm -64.65 -31.82 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 12.1 p -61.23 -29.06 69.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.328 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -81.01 -33.73 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.637 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.11 -55.14 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.354 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -30.05 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.0 0.429 . . . . 0.0 111.231 -176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 13.2 t -75.66 -37.45 59.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.48 -37.07 63.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -70.78 -15.79 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.37 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.499 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -74.82 -29.88 61.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.588 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.88 -66.83 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.593 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.94 43.06 99.7 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.829 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.87 0.53 10.83 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.562 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.314 -0.959 0 CA-C-O 121.8 0.81 . . . . 0.0 109.775 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 11' ' ' THR . 21.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.8 0.53 6.28 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.382 2.054 . . . . 0.0 112.694 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -126.75 20.69 7.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.717 0.294 . . . . 0.0 111.397 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.45 HG23 HD22 ' A' ' 12' ' ' ASN . 7.2 t -70.28 -32.35 70.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.192 0.52 . . . . 0.0 110.671 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.45 HD22 HG23 ' A' ' 11' ' ' THR . 11.9 p30 -143.83 153.61 57.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.642 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 73.6 Cg_exo -52.78 -33.53 60.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.084 2.522 . . . . 0.0 112.773 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -48.25 87.12 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.804 -177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.45 -31.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.664 -0.315 . . . . 0.0 110.556 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -71.29 -36.62 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.706 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.95 -40.74 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -54.13 -45.05 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.718 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.34 -42.52 71.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.529 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -63.29 -41.37 98.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.985 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -75.51 -10.37 59.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.321 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -91.99 -51.54 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.284 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.436 ' HE3' ' HB3' ' A' ' 24' ' ' MET . 86.9 mmm -59.36 -38.67 81.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -60.34 -36.78 78.79 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.38 -42.15 12.29 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.05 -31.82 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.27 . . . . 0.0 111.051 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -72.4 -2.86 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.028 0.442 . . . . 0.0 110.666 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -116.54 12.95 15.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -100.62 155.53 36.25 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.698 -177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.14 161.27 35.59 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.367 2.045 . . . . 0.0 111.409 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.531 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 92.8 -41.84 2.7 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.254 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.509 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 79.1 m-85 -93.33 156.09 17.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -130.46 167.38 18.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.617 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.1 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -69.68 -43.92 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.652 0.263 . . . . 0.0 110.712 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -70.59 -36.9 73.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 111.009 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 3.1 mm? -60.56 -36.97 79.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.58 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.19 -42.12 94.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.56 -37.48 73.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 0.0 110.176 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 ptm -83.93 -28.27 27.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.358 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -67.1 -29.08 68.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -39.66 90.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' ILE . 59.2 mt -72.11 -39.56 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.146 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.76 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -15.72 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.419 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -78.81 -39.44 35.62 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.441 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.8 mmm -60.99 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.642 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 m -61.83 -36.94 76.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.069 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.8 -29.33 55.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.871 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -66.5 -46.85 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.853 0.358 . . . . 0.0 110.109 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 48' ' ' MET . 66.3 mt -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.48 -32.18 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.457 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -70.27 -33.46 71.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.586 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' HG3' ' A' ' 60' ' ' ARG . 95.7 mt -68.37 -34.45 76.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 109.98 175.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.72 76.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.804 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.24 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.617 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.54 -38.84 74.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.921 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.21 5.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HG3' HD22 ' A' ' 55' ' ' LEU . 2.6 ptm180 -119.08 21.03 12.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.202 0.525 . . . . 0.0 110.626 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.0 128.47 33.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.933 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 m -130.08 149.42 73.17 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.84 -28.76 59.78 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.617 2.211 . . . . 0.0 111.318 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.48 -58.98 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.887 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 30.3 mtmm -71.22 -27.51 63.53 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.619 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.8 -31.7 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.281 0.563 . . . . 0.0 109.78 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.85 -39.71 21.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.065 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . . . -73.15 -3.68 28.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.027 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -115.11 13.14 16.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.494 0.664 . . . . 0.0 109.545 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -101.11 -48.91 4.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.942 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.592 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 93.6 mmm -74.37 -33.3 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.457 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.95 63.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.364 0.602 . . . . 0.0 110.994 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -68.71 -48.35 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.47 86.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.719 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 p -71.81 -45.23 62.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.957 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -59.38 -43.03 92.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.474 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -70.76 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.61 -46.08 23.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.638 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -70.96 -34.67 71.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.42 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -59.1 -44.59 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.245 0.545 . . . . 0.0 109.95 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.14 79.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.997 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.45 71.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.764 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.3 m -81.42 -57.79 3.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.846 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -120.04 161.41 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.425 0.631 . . . . 0.0 111.684 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -140.69 156.97 46.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.46 -13.31 38.79 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.433 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.28 -39.84 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.472 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.531 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -78.01 151.25 36.83 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.196 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -71.39 171.25 11.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 50.0 tp -58.95 -42.41 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.228 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -57.37 -41.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.185 0.516 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -64.24 -48.36 76.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.547 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' NZ ' ' HA ' ' A' ' 90' ' ' LEU . 36.0 mtmm -60.51 -47.95 83.92 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.006 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.3 m -55.04 -47.12 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.072 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 m -67.44 -38.63 84.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -57.51 -45.33 85.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.049 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 101' ' ' MET . 66.3 mt -65.44 -50.28 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.28 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.266 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -61.11 -45.54 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.547 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.23 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.018 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.9 mmt -61.94 -45.9 91.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.216 0.532 . . . . 0.0 110.049 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 p -73.11 -1.66 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.578 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.7 OUTLIER -115.16 -25.29 8.14 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.508 174.021 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.29 81.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.548 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 32.4 m-85 -61.1 -34.2 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.483 0.659 . . . . 0.0 110.54 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 106' ' ' LEU . 5.9 mp -78.06 -19.28 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.319 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 27.5 mm-40 -78.84 -30.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -94.88 -77.52 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.007 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 2.2 t -86.24 -28.05 24.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -176.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.56 9.0 51.43 Favored Glycine 0 CA--C 1.506 -0.529 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.321 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.1 p -146.6 148.08 17.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.198 -0.501 . . . . 0.0 109.685 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -124.15 140.25 48.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.79 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 14.8 t-20 -97.52 118.15 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.525 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 34.2 tt0 -61.04 -51.27 80.25 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -171.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.613 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 70.4 Cg_exo -52.27 -37.6 70.98 Favored 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.119 1.879 . . . . 0.0 112.658 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 17.6 t80 -55.61 -49.81 71.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.14 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.24 -31.94 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.671 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.74 -49.57 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.217 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' B' ' 130' ' ' ALA . 0.5 OUTLIER -60.9 -32.41 71.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.672 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 44.1 mm -61.74 -43.11 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.528 0.204 . . . . 0.0 111.242 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -62.94 -31.01 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.32 0.581 . . . . 0.0 110.782 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -74.74 -34.29 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 126' ' ' MET . 95.6 mt -60.71 -50.31 73.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 t -59.29 -38.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.7 t -73.38 -47.15 44.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 28.3 ptm -59.74 -40.88 89.59 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -173.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.54 -27.28 66.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.629 0.252 . . . . 0.0 111.243 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.0 66.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.412 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.37 -23.87 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.754 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.91 -49.58 8.37 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.363 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.11 88.41 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.246 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -82.46 9.77 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.855 0.836 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.749 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 40.1 p . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.409 0.147 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 8' ' ' THR . 27.8 Cg_exo -63.23 -21.7 72.25 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.531 2.154 . . . . 0.0 112.588 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -105.31 18.6 22.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.411 HG23 HD22 ' B' ' 12' ' ' ASN . 13.0 t -69.58 -23.38 63.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.109 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.411 HD22 HG23 ' B' ' 11' ' ' THR . 11.3 p30 -139.99 148.48 55.09 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.83 -35.02 87.4 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.349 2.699 . . . . 0.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.2 20.95 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.542 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.51 -32.79 74.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.589 0.233 . . . . 0.0 110.683 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.39 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.564 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.7 -31.7 52.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.334 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.88 -38.05 84.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.5 -45.15 77.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.28 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mtt -67.74 -36.01 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.069 0.461 . . . . 0.0 110.352 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 5.0 m-20 -61.49 -51.11 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.738 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.9 m -63.28 -38.58 91.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.31 -51.16 70.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.356 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -62.03 -36.65 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.377 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 51.9 mt-30 -62.99 -43.32 99.11 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.178 0.513 . . . . 0.0 110.203 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -69.47 -43.62 68.41 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.217 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 t -73.66 7.72 2.29 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.086 0.469 . . . . 0.0 110.565 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -127.55 20.25 6.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.911 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 25.0 mmt -107.79 151.82 41.31 Favored Pre-proline 0 N--CA 1.456 -0.16 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.62 -177.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.82 167.22 22.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 111.796 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.68 -42.6 3.17 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.684 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -81.84 142.63 32.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.072 0.463 . . . . 0.0 111.225 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -99.17 151.47 20.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.24 70.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.832 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.48 -40.61 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.7 -36.15 71.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.3 -28.72 67.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.304 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.26 -43.61 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.496 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -72.11 -21.65 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.929 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -60.98 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.521 ' HB ' ' HD3' ' A' ' 65' ' ' LYS . 5.7 m -66.92 -38.84 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.679 0.276 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' B' ' 80' ' ' ILE . 33.8 mt -68.46 -31.96 53.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.203 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.22 97.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.935 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 -12.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.1 p -89.41 -33.11 16.96 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.537 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.511 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 74.5 mmm -66.7 -43.38 84.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.645 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.86 -40.97 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -64.26 -38.46 91.13 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.972 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 50.5 m -60.24 -49.61 76.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.53 -52.4 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.466 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.9 -34.7 77.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.58 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.5 m -72.74 -37.26 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 110.532 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 51' ' ' SER . 88.9 mt -65.01 -34.17 77.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.67 64.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.0 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.14 92.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -75.12 -24.25 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.249 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 54.12 2.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.412 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 29.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 127.11 33.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.978 0.418 . . . . 0.0 110.936 176.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 m -124.6 155.08 69.9 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.83 -39.25 90.85 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.737 2.291 . . . . 0.0 111.84 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.84 -56.12 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.48 -30.76 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 mt -69.29 -36.01 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 110.347 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -73.84 -42.58 60.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.083 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.638 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -60.5 -41.96 95.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.267 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.02 3.93 21.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.202 0.525 . . . . 0.0 110.346 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -92.4 -48.43 6.66 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.474 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 87.8 mmm -71.69 -36.09 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.712 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.52 -52.88 43.24 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.139 0.275 . . . . 0.0 111.082 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.511 ' N ' ' HE2' ' B' ' 48' ' ' MET . 75.5 t80 -57.07 -46.14 82.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.994 0.426 . . . . 0.0 110.689 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.558 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -39.43 91.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.205 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -72.76 -38.05 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.522 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.498 ' O ' HG13 ' B' ' 80' ' ' ILE . 18.3 m -62.61 -38.05 88.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.151 0.501 . . . . 0.0 110.802 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 28.8 mmt -72.78 -24.8 60.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.038 0.447 . . . . 0.0 110.438 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.28 37.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.806 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 9.3 pt-20 -64.55 -37.46 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' B' ' 44' ' ' ILE . 21.8 mt -62.49 -40.39 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.8 57.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.505 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.95 82.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.987 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -71.08 -56.78 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.0 120.13 41.23 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.827 0.822 . . . . 0.0 111.22 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.58 158.28 31.29 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.587 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.71 -40.39 0.5 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.201 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.89 -35.88 0.37 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.102 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.58 151.33 23.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.224 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 m -57.16 150.77 16.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.748 0.274 . . . . 0.0 110.671 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' HZ3' ' B' ' 93' ' ' LYS . 53.7 tp -58.34 -43.61 88.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.457 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m -56.09 -34.65 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -67.97 -50.03 58.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.435 ' HZ3' ' HA ' ' B' ' 90' ' ' LEU . 36.7 mtmm -60.18 -46.86 88.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.148 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -53.93 -42.19 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -70.91 -37.89 72.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.4 m -60.04 -44.14 94.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 101' ' ' MET . 56.2 mt -64.68 -48.19 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.595 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.55 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 18.5 t -60.48 -46.99 88.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.622 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -64.93 -32.52 74.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.36 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.1 mmt -65.56 -49.21 69.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.086 0.47 . . . . 0.0 110.187 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 8.4 p -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -175.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.622 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.2 p-10 -79.77 -24.53 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.365 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.75 73.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.142 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.4 m-85 -63.6 -32.37 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.335 0.588 . . . . 0.0 110.399 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.62 -12.27 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.959 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -92.02 -33.45 14.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.442 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -89.19 -70.31 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.928 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 13.2 p -84.88 -37.8 20.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.055 0.455 . . . . 0.0 111.052 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.62 -0.34 34.45 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.0 p -142.34 149.65 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -106.46 124.39 61.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.337 0.589 . . . . 0.0 111.559 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.34 101.31 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.045 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 33.0 tt0 -56.81 -49.76 91.98 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -173.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 13.5 Cg_endo -58.34 -7.75 4.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.497 2.131 . . . . 0.0 113.572 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.658 ' O ' HG12 ' B' ' 120' ' ' ILE . 56.7 t80 -84.89 -46.24 11.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.0 mm -66.47 -37.83 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.051 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.32 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.064 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -31.13 69.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.488 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.8 mm -62.44 -45.09 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.488 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 41.5 p -60.64 -35.52 76.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 0.0 110.824 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -70.07 -41.25 74.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.559 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.9 -56.33 23.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.305 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.37 -34.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 25.1 m -76.5 -56.5 4.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.359 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -56.25 -33.79 65.77 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.83 -20.51 66.27 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.11 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.236 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.88 -24.41 41.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.048 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 119' ' ' GLU . . . -61.31 -51.58 68.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.29 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.86 27.89 73.16 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.962 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -85.26 20.49 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.925 0.869 . . . . 0.0 110.552 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.967 0 CA-C-N 113.958 -1.473 . . . . 0.0 109.566 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 11' ' ' THR . 10.4 p . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.66 -12.41 31.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.511 2.141 . . . . 0.0 112.583 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -121.21 17.56 11.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 8' ' ' THR . 14.8 t -85.45 -14.59 45.65 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.58 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -137.15 136.5 20.97 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.229 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 69.7 Cg_exo -52.66 -41.6 67.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.371 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.78 78.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.386 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.69 -39.8 94.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.595 -0.356 . . . . 0.0 110.641 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.04 90.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.245 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.7 pt-20 -74.98 -28.68 60.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.711 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -69.36 -32.38 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.051 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.74 -33.23 66.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.6 mmt -69.08 -53.44 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -73.7 -26.23 60.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 m -72.08 -19.26 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 110.359 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CE2' HD22 ' A' ' 27' ' ' LEU . 57.7 t80 -84.29 -52.49 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.918 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.7 mmm -60.3 -34.94 74.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.327 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.39 -27.91 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.692 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -35.91 9.94 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 23' ' ' PHE . 23.8 tp -65.91 -32.38 73.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.77 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -66.06 -13.48 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -96.69 1.22 50.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.261 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -97.86 140.14 21.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.143 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.74 -27.5 18.09 Favored 'Trans proline' 0 N--CA 1.471 0.156 0 C-N-CA 122.88 2.387 . . . . 0.0 113.059 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.56 73.03 Favored Glycine 0 CA--C 1.517 0.171 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.21 -172.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -106.97 141.31 38.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.29 0.567 . . . . 0.0 111.801 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.4 p -102.98 173.42 6.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.17 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.51 74.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -60.13 -46.46 89.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.408 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.79 -45.42 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.671 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.03 -39.63 94.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.968 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.6 -46.57 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 109.786 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.404 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 9.5 ptm -78.21 -24.89 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.167 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -64.98 -21.4 66.84 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 m -63.73 -43.69 95.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.0 mt -75.92 -34.06 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.227 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.98 61.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 5.0 pt20 -80.15 -21.79 42.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.074 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.7 t -65.06 -42.78 93.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 52' ' ' ILE . 89.3 mmm -62.8 -47.78 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.723 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.8 m -63.94 -38.21 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.46 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -71.49 -33.84 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -66.91 -42.17 85.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.975 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 48' ' ' MET . 77.0 mt -57.43 -50.08 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.035 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.612 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.14 -36.64 82.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.417 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -66.59 -34.84 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.976 0.417 . . . . 0.0 110.577 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.84 -33.83 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.806 0.336 . . . . 0.0 110.376 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.25 84.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.184 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.12 77.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.252 0.548 . . . . 0.0 110.731 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.53 -17.57 56.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.27 29.61 52.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.248 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 60' ' ' ARG . 7.1 ptm180 -113.06 21.9 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.482 0.658 . . . . 0.0 110.484 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -92.95 118.24 30.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.898 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 m -118.03 162.37 29.87 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.35 -44.51 48.37 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.302 2.001 . . . . 0.0 111.852 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -73.02 -25.78 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.894 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 8.9 tppt? -69.79 -47.73 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 0.0 109.685 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 mt -68.39 -36.78 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.742 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' B' ' 133' ' ' ASN . 34.1 tt0 -54.93 -49.38 71.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.754 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -59.98 -35.84 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.298 0.57 . . . . 0.0 110.689 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.08 -4.92 46.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.448 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.8 m-20 -84.87 -47.42 10.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.512 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 92.6 mmm -79.19 -30.15 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -60.01 -34.83 73.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.88 171.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -72.07 -44.36 63.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.936 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -66.32 -51.21 59.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.65 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.6 p -61.4 -39.31 90.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.974 0.416 . . . . 0.0 111.282 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.516 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 29.2 mmt -69.34 -30.75 68.85 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.449 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.58 -44.58 50.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.51 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 7.7 pt-20 -67.53 -32.71 73.69 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.379 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 76' ' ' SER . 17.1 mt -67.74 -48.38 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.974 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.01 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.832 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.487 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -75.68 -77.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.231 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 170.4 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 111.87 -173.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.61 -154.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.266 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.0 -26.49 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.76 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.83 -1.04 42.49 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.984 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 180.0 179.13 48.8 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.056 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.6 m -85.57 -175.72 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.577 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 50.9 tp -54.0 -42.54 69.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -70.32 -37.61 74.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.088 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -63.67 -53.53 49.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.324 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.3 pttt -68.41 -31.14 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 m -67.64 -47.53 69.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.638 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 m -65.76 -28.73 69.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -61.99 -43.94 97.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.619 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.98 -42.41 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.99 81.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.729 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -68.12 -42.06 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.648 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.62 -36.39 83.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 mmt -64.77 -35.37 80.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.029 0.442 . . . . 0.0 110.031 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -67.28 -51.85 47.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.835 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.648 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.5 p-10 -66.71 -27.84 67.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.007 -173.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.18 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.483 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.551 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 18.1 m-85 -71.01 -35.16 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 110.85 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 106' ' ' LEU . 6.6 mp -74.35 -16.93 60.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 74.8 mm-40 -89.14 -27.35 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.601 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -96.99 -32.12 12.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.921 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.43 25.97 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.718 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.7 p -155.75 153.76 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.615 0.245 . . . . 0.0 110.371 -177.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.8 p -121.71 137.39 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -75.74 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.511 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 50.1 tt0 -179.58 -57.96 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 119.308 -0.377 . . . . 0.0 111.5 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 26.9 Cg_exo -60.98 -26.71 83.64 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 121.947 1.765 . . . . 0.0 112.585 -170.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.07 -43.17 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 109.751 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.7 mm -70.65 -30.98 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 115' ' ' PRO . 16.8 m120 -62.55 -46.05 90.15 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.6 mm-40 -60.0 -41.38 91.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.0 mm -59.1 -44.45 91.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.0 p -67.35 -28.41 67.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -73.08 -41.49 64.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.305 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -60.09 -53.7 54.67 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.86 -35.79 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.248 0.546 . . . . 0.0 110.595 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -70.53 -47.89 58.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.291 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ptm -66.92 -39.0 87.25 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.55 -23.08 67.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 111.272 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.32 98.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -79.08 -29.15 43.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.792 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.54 69.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.799 175.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.35 23.79 64.89 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.247 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -82.39 4.03 25.65 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.064 0.935 . . . . 0.0 110.328 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.438 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.123 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.349 0.119 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.86 -15.36 46.92 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.478 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -116.77 22.85 12.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.676 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' B' ' 12' ' ' ASN . 9.0 t -68.26 -27.1 66.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.477 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' B' ' 11' ' ' THR . 12.3 p30 -145.97 153.63 49.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.74 -35.0 67.24 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.09 2.527 . . . . 0.0 113.042 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.19 -51.25 60.32 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.794 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.6 -32.29 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.504 -0.409 . . . . 0.0 110.637 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.95 77.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.224 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.41 -27.26 63.18 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 110.828 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -65.68 -38.71 90.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.96 -38.15 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.66 -56.07 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.67 -29.78 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.243 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.438 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 35.6 t -68.7 -25.9 65.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.399 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -75.23 -51.38 13.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.958 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.4 mmm -61.57 -36.16 79.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.142 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -71.42 -27.13 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.41 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.21 -35.8 14.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.36 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.41 -29.08 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.644 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' B' ' 38' ' ' LEU . 20.4 t -69.51 3.96 2.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.903 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -119.99 9.07 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.355 0.598 . . . . 0.0 109.93 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -95.85 141.01 22.57 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.3 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.83 -23.81 30.06 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.677 2.251 . . . . 0.0 112.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.94 70.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.21 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -126.16 133.31 51.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.0 0.428 . . . . 0.0 111.02 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.422 HG23 ' HA3' ' B' ' 86' ' ' GLY . 24.3 p -99.06 170.27 8.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.33 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.338 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -73.89 -37.53 64.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -74.86 -40.59 60.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.436 0.636 . . . . 0.0 110.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' B' ' 28' ' ' SER . 76.8 mt -65.49 -24.62 67.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.436 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -35.86 81.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.821 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.48 -42.0 13.11 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.803 -174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 12.4 ptm -71.14 -22.85 62.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -64.79 -12.41 47.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.2 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.5 m -74.88 -17.65 60.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.672 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 50.9 mt -96.36 -26.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.4 0.619 . . . . 0.0 109.923 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.21 -56.3 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.345 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.26 0.16 45.14 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 5.5 p -86.89 -42.14 13.45 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.294 173.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mmm -59.04 -38.56 79.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -66.2 -34.32 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -74.69 -36.06 62.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.494 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 14.1 m -61.46 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.09 -48.35 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.771 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.88 -37.42 79.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.258 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -34.32 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' B' ' 60' ' ' ARG . 97.1 mt -70.74 -36.13 73.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 110.46 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -39.14 70.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.034 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.5 -29.22 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLN . . . . . 0.457 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 49.8 mt-30 -87.75 -31.45 19.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.317 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.6 31.69 5.4 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.583 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.457 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -112.85 17.54 18.9 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.133 0.492 . . . . 0.0 110.566 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.415 HG22 HD21 ' B' ' 66' ' ' LEU . 0.8 OUTLIER -77.21 123.12 25.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.121 178.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 37.8 p -138.57 164.72 37.99 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 11.2 Cg_endo -53.34 -36.35 78.36 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.162 1.908 . . . . 0.0 111.849 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.83 -42.41 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -61.3 -44.77 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.834 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.415 HD21 HG22 ' B' ' 61' ' ' THR . 93.0 mt -69.17 -39.43 78.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 34.5 tt0 -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.145 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.69 0.18 9.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.826 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -111.65 11.6 21.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.171 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -84.89 -54.21 4.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.325 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.51 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 91.7 mmm -75.97 -29.6 58.31 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.08 -31.21 61.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.89 0.376 . . . . 0.0 111.186 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -83.19 -44.81 14.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.95 -37.78 83.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -77.56 -35.0 53.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.608 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.5 p -71.53 -33.02 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 0.0 110.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.551 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -71.26 -25.75 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 -43.9 50.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.068 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.637 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 14.9 pt-20 -66.06 -39.85 90.43 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 76' ' ' SER . 20.3 mt -61.46 -39.98 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.491 0.662 . . . . 0.0 109.285 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.507 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -72.0 -40.65 68.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.311 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.08 38.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.921 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -105.41 -68.08 0.88 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 110.793 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.91 163.85 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.326 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.613 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 7.9 pt-20 -155.68 164.77 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.067 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -99.07 -99.02 2.16 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.114 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.03 11.05 29.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.096 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.41 142.83 14.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.9 m -78.72 -172.38 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.238 0.215 . . . . 0.0 111.124 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.551 ' HA ' ' CD ' ' B' ' 93' ' ' LYS . 49.0 tp -56.97 -35.09 68.75 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.738 0.304 . . . . 0.0 111.785 -175.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -77.16 -20.36 55.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.056 0.455 . . . . 0.0 110.935 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.5 m -89.65 -50.63 5.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.369 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.613 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 14.7 ptmt -60.34 -39.24 86.42 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.606 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -64.91 -43.61 92.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.221 0.534 . . . . 0.0 110.705 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -67.59 -35.19 78.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.659 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -58.06 -48.46 80.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.171 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mt -67.46 -40.26 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.0 83.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.337 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -77.09 -22.73 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.04 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -87.62 -32.25 19.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.303 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.7 mmt -67.56 -39.08 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.191 0.52 . . . . 0.0 110.257 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.2 p -69.32 -48.88 60.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.56 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.3 p-10 -65.27 -22.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.162 -173.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.49 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -73.05 -33.16 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.804 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.425 HD11 HG12 ' B' ' 112' ' ' VAL . 6.9 mp -75.04 2.72 9.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 75.6 mm-40 -99.24 -47.67 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.286 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -78.95 -66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.173 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 11.5 p -82.85 -38.56 22.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.47 8.53 40.45 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.81 148.64 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.764 -0.718 . . . . 0.0 109.753 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.425 HG12 HD11 ' B' ' 106' ' ' LEU . 2.2 p -111.29 132.58 59.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.778 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.38 -91.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.867 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 38.7 tt0 178.99 -60.28 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 21.0 Cg_exo -65.26 -34.81 43.63 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.824 1.682 . . . . 0.0 112.842 -171.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.585 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.8 t80 -54.01 -50.07 67.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.341 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.56 -33.29 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.727 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -67.45 -33.47 75.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 27.0 mm-40 -73.9 -36.24 64.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.832 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 116' ' ' PHE . 33.7 mm -60.35 -44.83 96.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.3 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -62.17 -36.82 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.793 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -67.7 -40.91 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.596 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.8 mt -60.85 -53.72 53.83 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.441 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 120' ' ' ILE . 40.0 t -59.58 -34.18 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.17 0.51 . . . . 0.0 110.806 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 20.5 t -85.63 -20.45 29.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.972 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.5 ptm -83.55 -45.06 13.97 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.316 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -63.08 -17.37 62.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.072 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.72 99.76 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.461 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -74.84 -34.11 62.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.628 0.251 . . . . 0.0 110.599 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.27 -52.56 64.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.038 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.06 22.11 64.53 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.05 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -79.76 -1.03 36.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.856 0.836 . . . . 0.0 110.586 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.507 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.791 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.82 -15.3 46.84 Favored 'Trans proline' 0 C--N 1.34 0.086 0 C-N-CA 122.264 1.976 . . . . 0.0 112.597 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -117.44 14.69 14.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 8' ' ' THR . 13.3 t -82.95 -23.03 33.61 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.03 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -128.97 132.07 24.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.21 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -40.37 80.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 111.782 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ASN . . . -58.92 -35.19 81.93 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.983 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.55 -41.83 23.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.751 0.276 . . . . 0.0 110.462 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.72 81.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.677 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -32.73 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 111.34 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.4 -26.04 60.81 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.099 0.476 . . . . 0.0 110.266 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.26 -42.93 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.985 174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.2 mtt -76.64 -42.14 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -58.96 -44.59 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.395 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 p -74.75 -33.44 62.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -58.28 -48.47 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mmm -59.3 -36.68 76.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.494 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -68.31 -29.4 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.297 0.57 . . . . 0.0 111.181 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.77 -30.12 24.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.051 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -78.54 -28.4 46.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' A' ' 38' ' ' LEU . 52.4 p -64.04 -21.81 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -104.17 23.95 12.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.563 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 mmt -103.24 135.61 19.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.78 -13.38 32.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.032 2.488 . . . . 0.0 112.452 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.45 -37.1 94.29 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.111 -0.95 . . . . 0.0 113.124 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -109.03 172.07 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.902 -173.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.7 p -110.07 162.51 14.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.539 173.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.51 66.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.646 ' NE2' ' HB2' ' A' ' 84' ' ' GLU . 46.9 mt-30 -69.93 -44.13 70.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.252 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 28' ' ' SER . 4.5 mm? -59.2 -33.35 70.86 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.764 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.95 -32.15 68.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 29.7 t70 -81.48 -46.93 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.728 0.299 . . . . 0.0 110.877 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 10.2 ptp -69.24 -22.02 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.188 -178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 t -59.38 -32.62 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.028 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -63.95 -40.63 96.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.59 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -70.29 -42.11 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.233 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.74 48.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.102 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.55 ' HA ' HG22 ' A' ' 49' ' ' VAL . 2.0 pt20 -77.24 -23.86 51.23 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.483 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -66.64 -40.48 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.133 0.492 . . . . 0.0 109.894 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.4 mmm -69.95 -38.87 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.983 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.0 m -72.19 -35.15 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.314 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -69.23 -36.1 76.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.68 0.276 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -72.19 -38.47 69.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.709 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' MET . 68.1 mt -59.75 -47.54 90.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 110.449 174.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.44 -39.43 83.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.763 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -46.05 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.27 -32.97 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.097 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.3 92.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 0.0 110.441 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.88 65.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.058 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 93.3 mt-30 -82.5 -5.41 58.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.272 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.98 41.91 70.31 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.921 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 14.0 mmm180 -111.26 -3.35 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.062 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -83.52 124.7 31.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.601 0.715 . . . . 0.0 112.556 -172.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.505 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 32.8 m -153.09 162.29 26.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 175.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 3.3 Cg_endo -45.57 -52.59 6.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.173 2.582 . . . . 0.0 113.279 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.69 -30.46 71.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.2 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 26.4 mmmt -73.06 -43.79 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.24 0.543 . . . . 0.0 110.321 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.63 -31.65 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.209 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.29 -45.02 88.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.467 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.523 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -72.21 -3.64 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.614 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 69' ' ' LEU . 25.7 mt -112.39 3.18 16.79 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.535 0.683 . . . . 0.0 109.307 174.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.1 -48.31 8.18 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.527 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 96.7 mmm -72.84 -31.94 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.223 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.95 -35.2 68.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.0 111.163 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.1 t80 -77.87 -43.62 29.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -63.18 -30.69 71.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.707 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 p -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.314 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.644 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 p -68.61 -23.93 64.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.247 0.546 . . . . 0.0 111.428 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.496 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -77.37 -21.58 53.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.153 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.7 -40.07 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.644 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 11.2 pt-20 -65.24 -38.9 91.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.681 0.277 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' SER . 19.5 mt -66.2 -42.09 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.41 0.624 . . . . 0.0 109.911 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 93' ' ' LYS . . . -63.24 -39.28 94.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.283 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.16 9.09 15.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.517 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -105.37 -69.76 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.682 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.646 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 15.6 mp0 -84.58 151.28 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.934 0.873 . . . . 0.0 111.912 -174.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 10.1 pt-20 -93.25 -151.33 0.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.796 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.65 -138.02 7.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.129 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.95 -13.02 59.67 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.36 123.02 5.89 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -69.36 176.91 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.35 0.26 . . . . 0.0 111.113 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 58.4 tp -55.41 -40.33 71.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.937 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -63.81 -39.57 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.67 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -70.86 -31.13 67.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.234 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 37' ' ' GLN . 41.2 mmtm -59.66 -43.81 93.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.345 0.593 . . . . 0.0 109.971 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.47 65.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.063 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.3 m -62.69 -38.36 90.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.912 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 p -68.22 -45.38 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.043 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.4 mt -62.23 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.593 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.41 -43.71 71.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.92 0.391 . . . . 0.0 111.125 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.65 -51.14 69.7 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.03 64.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.562 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.2 -46.99 84.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.049 0.452 . . . . 0.0 109.968 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -36.63 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.133 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -63.92 -42.9 97.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.082 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -36.29 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -63.57 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.289 0.566 . . . . 0.0 110.622 174.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.07 -8.38 56.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.016 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -98.1 -27.56 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -90.69 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.766 0.317 . . . . 0.0 111.705 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 p -94.74 -49.2 5.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.036 0.446 . . . . 0.0 111.092 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.12 -1.98 9.07 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -137.92 149.27 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.26 142.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.915 0.388 . . . . 0.0 110.959 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -101.82 112.97 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.66 -48.99 91.72 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.34 -46.5 19.76 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.098 1.865 . . . . 0.0 112.509 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.0 -53.04 62.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.51 -38.97 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.96 -40.93 95.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.437 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.86 -29.73 70.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.402 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 35.8 mm -65.57 -34.1 68.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.9 p -64.44 -33.44 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -69.57 -31.62 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.496 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.94 -48.9 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.8 t -62.17 -35.87 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -73.02 -41.29 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.582 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -71.92 -38.21 69.91 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.642 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.22 -12.91 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.713 0.292 . . . . 0.0 111.161 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.03 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -76.66 -32.72 58.14 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.414 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.67 -59.14 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.457 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.61 61.39 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.161 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -82.12 9.52 8.42 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.483 0.659 . . . . 0.0 111.408 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.437 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.834 177.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.623 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.1 p . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.9 -12.92 36.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.306 2.004 . . . . 0.0 112.792 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -126.7 17.29 7.46 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.623 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 11.5 t -79.53 -26.44 41.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.753 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.561 ' HB2' HD23 ' B' ' 15' ' ' LEU . 88.4 m-20 -134.46 151.3 75.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.416 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 12' ' ' ASN . 13.2 Cg_exo -70.85 7.96 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.813 2.342 . . . . 0.0 111.79 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.85 -2.04 32.14 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.8 mm? -118.78 -31.29 4.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.05 88.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.133 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -28.41 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.994 0.425 . . . . 0.0 110.752 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.16 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.429 173.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.09 -47.64 84.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.859 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 14.1 mmt -58.68 -51.48 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.432 0.634 . . . . 0.0 110.675 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 47.6 m-80 -62.98 -46.83 85.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.154 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.8 m -60.95 -31.18 70.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.861 0.363 . . . . 0.0 111.001 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -70.07 -52.05 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.7 -35.8 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.639 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 98.0 mt-30 -64.19 -28.59 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.254 0.549 . . . . 0.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.89 -23.22 30.88 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.323 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' B' ' 33' ' ' PHE . 49.6 tp -82.31 -29.88 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 0.0 111.205 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -74.12 5.23 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.914 0.387 . . . . 0.0 111.838 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -120.86 12.61 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.094 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mmt -95.4 132.75 27.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.11 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.59 -19.5 32.1 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.229 2.619 . . . . 0.0 113.459 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -20.31 73.8 Favored Glycine 0 C--N 1.32 -0.328 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.347 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.4 ' CE1' HD11 ' B' ' 27' ' ' LEU . 26.0 m-85 -106.0 174.13 6.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p -116.58 168.99 9.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.07 85.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -63.99 -41.56 97.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.18 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.31 -47.75 63.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.277 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.09 -36.31 74.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.023 0.439 . . . . 0.0 110.677 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.48 -44.34 91.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.587 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.35 -51.05 16.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.332 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 10.6 ptm -71.07 -21.18 62.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.7 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -64.85 -19.35 65.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.998 0.427 . . . . 0.0 110.292 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 43.3 m -72.82 -40.88 65.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mt -72.14 -32.93 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.266 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.427 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -51.94 -51.93 53.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.069 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' B' ' 49' ' ' VAL . 5.7 pt20 -78.54 -22.56 47.1 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.454 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -65.48 -40.95 93.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 0.0 109.957 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.429 ' O ' HG13 ' B' ' 52' ' ' ILE . 94.7 mmm -73.13 -27.11 61.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.401 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 10.6 m -81.77 -38.84 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.085 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -72.34 -30.42 64.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.591 0.234 . . . . 0.0 111.332 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 2.9 p -66.61 -43.02 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 48' ' ' MET . 81.8 mt -58.69 -44.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 176.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 49' ' ' VAL . 82.1 mt-30 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.097 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -67.24 -33.67 75.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.629 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 51' ' ' SER . 71.1 mt -72.49 -37.33 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 176.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.416 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.17 87.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 111.083 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.95 -17.27 41.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.195 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.24 41.72 8.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.93 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' B' ' 55' ' ' LEU . 9.4 mmm180 -102.57 -1.01 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.43 127.35 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.292 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.456 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 15.5 m -150.4 161.43 30.64 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 9.3 Cg_endo -51.23 -42.56 53.41 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.685 2.257 . . . . 0.0 112.624 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.49 -46.43 90.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 45.8 mmtt -59.21 -47.6 84.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.3 0.572 . . . . 0.0 109.977 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.85 -42.96 84.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.885 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 33.5 tt0 -61.26 -50.05 74.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.89 -33.85 74.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 mt -76.26 -5.16 45.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.299 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -85.79 -45.05 11.97 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 170.518 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.0 mmm -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.541 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.57 -24.57 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 111.282 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' B' ' 77' ' ' MET . 78.6 t80 -82.55 -41.14 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.266 0.555 . . . . 0.0 109.623 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.42 -37.37 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.444 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.0 p -70.56 -45.55 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.549 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.3 p -66.17 -33.75 76.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 111.379 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.7 mmt -70.2 -28.03 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.338 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.78 -44.86 47.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.061 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 12.1 pt-20 -64.18 -37.66 88.28 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.726 0.298 . . . . 0.0 110.964 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 76' ' ' SER . 19.1 mt -66.39 -43.48 91.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.216 0.531 . . . . 0.0 110.314 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.4 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.319 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.31 4.93 7.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.579 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -100.99 -64.46 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.391 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -90.96 133.64 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 112.127 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 89' ' ' SER . 10.3 mm-40 -112.3 -166.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.025 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.21 -79.09 0.32 Allowed Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.0 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 -5.0 63.85 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.18 138.74 6.75 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.467 ' HA ' ' OE2' ' B' ' 85' ' ' GLU . 23.2 m -83.85 168.47 16.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.784 0.292 . . . . 0.0 111.083 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.28 -36.19 75.1 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.2 m -60.43 -35.56 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.31 0.576 . . . . 0.0 110.323 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -77.42 -36.91 52.8 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.868 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' B' ' 81' ' ' ALA . 41.7 mmtm -53.74 -55.51 25.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.465 0.65 . . . . 0.0 109.946 174.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -55.29 -47.99 74.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.696 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 29.2 m -69.24 -42.15 76.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.753 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.3 p -65.31 -44.14 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.267 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.07 -47.05 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.672 0.272 . . . . 0.0 110.484 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.33 -46.78 85.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -65.35 -41.86 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.04 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.291 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.42 ' SD ' HG13 ' B' ' 120' ' ' ILE . 39.5 mtt -67.22 -42.57 83.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.813 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.2 m -57.46 -38.82 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.324 0.583 . . . . 0.0 110.124 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.2 t30 -64.23 -43.8 93.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.929 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.46 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.457 -178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 27.8 m-85 -63.35 -39.68 95.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.04 -21.88 60.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 68.0 mm-40 -83.14 -42.12 17.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.608 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.8 p -71.21 -76.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.086 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 8.7 t -98.77 -21.99 16.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.3 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.87 12.86 26.91 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.272 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -151.13 148.92 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.48 140.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 0.0 111.009 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -100.76 113.82 27.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.557 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.518 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 21.8 mp0 -58.5 -51.3 82.82 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' B' ' 114' ' ' GLN . 85.4 Cg_exo -48.57 -44.77 29.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 122.078 1.852 . . . . 0.0 112.688 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.557 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.2 t80 -57.91 -58.62 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.46 -35.5 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -65.98 -41.61 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.069 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 57.6 mm-40 -67.74 -31.53 71.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.557 HG12 ' O ' ' B' ' 116' ' ' PHE . 35.3 mm -62.65 -40.74 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 59.9 p -61.09 -33.29 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.001 0.429 . . . . 0.0 110.727 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -72.0 -38.17 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.442 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.38 -51.34 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.657 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.79 -35.09 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.126 0.489 . . . . 0.0 110.443 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 53.7 m -73.48 -48.08 36.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -64.37 -41.22 96.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.92 -20.95 66.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 111.648 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.5 84.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -84.66 -21.21 30.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.019 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.8 -54.41 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.517 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.34 12.63 58.81 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.836 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.55 7.93 21.19 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.572 0.701 . . . . 0.0 111.19 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.12 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 19.9 p . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 37.5 Cg_endo -68.1 5.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.544 2.163 . . . . 0.0 113.176 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 9.5 p90 -137.46 18.68 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 14.5 t -83.53 -10.33 58.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -146.82 150.63 39.96 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.957 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -32.05 67.92 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.015 2.476 . . . . 0.0 112.814 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -56.04 24.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.191 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.2 -35.5 81.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.627 0.214 . . . . 0.0 111.16 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.7 95.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.222 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.38 -42.52 98.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.506 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -65.14 -41.99 94.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -49.88 -45.22 50.42 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.452 0.47 . . . . 0.0 111.267 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.44 -51.34 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -67.64 -39.77 84.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.243 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 34.3 m -66.25 -24.46 66.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.236 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 73.7 t80 -81.64 -51.44 8.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.24 -31.3 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.514 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 22.3 pt20 -66.14 -28.71 69.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.411 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.13 -35.47 6.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.2 tp -70.95 -26.58 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.059 0.456 . . . . 0.0 110.687 -175.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 p -75.21 -0.17 18.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -113.01 5.13 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.278 0.561 . . . . 0.0 109.648 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 mmt -98.98 148.82 35.09 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.29 160.72 46.36 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.361 2.041 . . . . 0.0 111.184 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 102.28 -38.14 3.34 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.38 177.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 93' ' ' LYS . 77.1 m-85 -103.59 123.03 46.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -91.22 170.28 10.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.664 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.96 67.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -68.37 -46.1 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' MET . 85.7 mm-40 -72.13 -37.5 69.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.96 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.1 -45.7 92.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.25 -46.77 75.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 6.9 ptp -73.58 -30.61 63.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.179 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -65.22 -27.04 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.251 0.548 . . . . 0.0 109.752 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.9 m -67.03 -40.49 87.22 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.994 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' HG2' ' A' ' 48' ' ' MET . 38.0 mt -72.89 -35.34 48.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.511 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.45 32.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.2 pt20 -75.02 -21.94 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.438 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 29.1 t -66.34 -43.12 86.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 92.9 mmm -66.22 -41.84 89.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.83 -178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.662 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 14.4 m -67.39 -31.52 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.541 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -75.01 -29.73 60.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 110.708 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 36.7 m -59.59 -44.25 93.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 48' ' ' MET . 72.7 mt -62.57 -47.13 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.552 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 73.2 mm-40 -56.62 -46.32 81.0 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -64.1 -34.93 79.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.979 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 51' ' ' SER . 62.0 mt -78.49 -36.79 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.029 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.9 -36.0 72.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.155 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.98 95.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.504 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -72.26 -46.89 54.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.471 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.9 53.68 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.807 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -136.6 24.97 3.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 176.638 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -86.29 118.28 25.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.302 0.572 . . . . 0.0 111.143 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 p -135.55 160.12 68.96 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.3 Cg_endo -50.66 -41.06 55.07 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.557 2.171 . . . . 0.0 112.027 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -68.32 -43.29 77.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.465 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.26 -47.65 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.752 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -68.77 -39.43 80.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.967 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.678 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.3 tt0 -56.31 -41.56 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.979 0.419 . . . . 0.0 110.733 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.49 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.77 -39.22 17.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.45 -46.64 69.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.097 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.4 mmm -69.74 -34.64 74.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -63.79 -34.6 78.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.501 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.2 t80 -71.98 -46.17 58.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.043 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.79 -35.95 77.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.7 p -76.14 -38.02 57.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.9 p -68.84 -37.64 79.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 0.0 110.791 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 110.119 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.46 -49.26 27.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.086 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.68 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -69.31 -32.52 71.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.49 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.528 HD11 HD12 ' A' ' 44' ' ' ILE . 17.7 mt -59.69 -48.47 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.82 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.2 57.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.644 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.7 t -96.48 -77.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -123.99 171.15 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -154.0 174.74 14.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.192 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.07 0.76 9.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.886 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.63 60.41 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.696 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -166.6 118.42 0.79 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 11.8 m -54.49 148.02 12.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.806 -172.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' HZ3' ' A' ' 93' ' ' LYS . 50.3 tp -58.38 -52.47 65.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.647 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 p -60.25 -34.7 74.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.949 0.404 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 32.6 m -64.25 -57.88 8.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 23.9 pttm -72.71 -15.97 61.68 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.3 m -66.45 -42.4 87.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.261 0.553 . . . . 0.0 110.083 173.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -73.01 -28.01 62.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.972 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.716 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.17 -47.23 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.162 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.27 75.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.119 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.5 m -63.53 -41.33 98.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.826 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -91.4 -19.96 22.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.0 -47.74 79.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.139 0.495 . . . . 0.0 109.997 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -64.84 -36.44 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.004 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.542 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . 1.7 t-20 -54.53 -57.97 9.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.708 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.43 57.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.493 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -65.33 -33.21 75.44 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 111.549 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.29 -13.77 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.631 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.54 -38.07 15.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.357 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -84.89 -69.79 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.1 p -93.04 -42.77 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.43 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.47 4.48 28.6 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.476 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.99 147.31 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.409 . . . . 0.0 110.25 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.79 123.79 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.2 114.37 18.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 64.3 tt0 -65.69 -47.67 65.87 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.6 Cg_exo -49.9 -42.02 45.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.003 1.802 . . . . 0.0 112.354 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 120' ' ' ILE . 34.9 t80 -53.13 -51.31 62.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.16 -37.99 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.86 -44.56 85.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -58.37 -41.3 84.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 116' ' ' PHE . 28.7 mm -60.59 -42.14 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -70.65 -25.31 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.899 0.38 . . . . 0.0 111.055 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.43 -33.2 64.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.72 -48.82 79.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.838 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.01 -39.59 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.5 t -79.57 1.32 26.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.877 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.3 ptm -113.59 -37.96 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.174 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.9 -23.57 67.4 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.56 77.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.483 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -89.06 -13.22 39.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.65 18.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.23 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.61 13.24 83.16 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.677 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -89.01 12.7 14.77 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 122.102 0.953 . . . . 0.0 110.198 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.571 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.309 -1.185 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.222 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 11' ' ' THR . 6.8 p . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.437 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 34.8 Cg_endo -66.19 -0.7 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.707 2.271 . . . . 0.0 112.978 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TRP . . . . . 0.437 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 7.1 p90 -130.87 23.84 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.126 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 8' ' ' THR . 15.0 t -85.84 -11.85 52.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.724 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.4 HD22 HG23 ' B' ' 11' ' ' THR . 10.1 p30 -144.29 150.09 47.08 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.81 -34.48 75.46 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.055 2.503 . . . . 0.0 113.017 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.3 -59.24 11.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.781 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.23 -37.76 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.666 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -71.41 -41.81 69.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.45 -29.24 69.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.15 -45.01 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.547 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.7 mmt -64.01 -44.75 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.877 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -63.03 -45.27 93.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.51 ' HA ' ' NE2' ' B' ' 25' ' ' GLN . 50.3 m -65.54 -29.7 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.557 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 70.3 t80 -73.79 -55.65 5.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.34 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.32 -34.95 77.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.53 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' B' ' 22' ' ' SER . 20.2 pt20 -65.44 -24.99 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.504 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.6 -35.27 5.97 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' B' ' 23' ' ' PHE . 53.8 tp -69.5 -30.81 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -73.17 0.89 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.085 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -117.81 11.86 13.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.623 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.7 mmt -97.94 149.95 36.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.69 160.71 40.69 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.972 1.781 . . . . 0.0 111.163 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLY . . . . . 0.612 ' HA2' ' N ' ' B' ' 88' ' ' GLY . . . 100.71 -49.82 1.07 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.692 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.2 138.1 31.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.819 0.343 . . . . 0.0 110.28 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -98.33 165.08 12.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.39 72.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.747 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -72.4 -26.84 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 111.447 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 41' ' ' MET . 97.7 mt-30 -85.19 -35.41 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.42 -31.93 73.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.351 0.596 . . . . 0.0 109.585 171.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.44 -32.45 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.246 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.03 -40.62 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.838 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 5.8 ptp -80.36 -28.84 37.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -63.03 -18.9 63.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.045 0.45 . . . . 0.0 110.71 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 m -66.45 -40.99 89.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.314 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 53.9 mt -75.25 -30.75 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.59 65.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.118 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.429 ' O ' HG22 ' B' ' 49' ' ' VAL . 0.9 OUTLIER -92.36 -27.02 17.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.724 -177.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 64.8 p -66.86 -36.94 83.46 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.175 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.527 ' O ' HG13 ' B' ' 52' ' ' ILE . 91.7 mmm -63.02 -46.24 88.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 5.7 m -70.51 -32.8 51.09 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.386 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.74 -38.93 92.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.438 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 69.0 m -68.37 -37.7 80.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.397 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 48' ' ' MET . 59.5 mt -56.62 -48.62 80.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.37 175.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 60.7 mm-40 -62.36 -40.58 96.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.298 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.9 m -65.62 -37.17 85.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.212 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 51' ' ' SER . 87.2 mt -68.04 -36.82 80.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.696 0.284 . . . . 0.0 110.64 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.63 -40.09 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.13 96.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.99 -56.49 6.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.48 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.84 46.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.347 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 23.11 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.997 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.09 149.49 25.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.411 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.9 p -167.51 162.11 10.14 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 10' ' ' TRP . 8.8 Cg_endo -51.55 -35.17 55.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.368 2.045 . . . . 0.0 112.029 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -68.32 -51.5 43.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.204 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -41.23 84.8 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.074 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.4 -34.8 63.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.087 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.571 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.1 tt0 -63.86 -42.6 97.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.407 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.68 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -59.96 -33.08 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.531 0.681 . . . . 0.0 110.758 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.28 -8.24 58.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.113 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 13.6 m120 -78.42 -48.52 15.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.435 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.36 -40.81 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.889 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.27 -27.69 67.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.075 0.465 . . . . 0.0 111.374 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' B' ' 77' ' ' MET . 68.7 t80 -79.57 -43.93 22.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.206 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.48 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 23.7 p -73.45 -44.04 59.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.46 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -64.06 -36.48 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 110.776 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.596 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 28.0 mmt -65.11 -38.69 91.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.33 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.99 92.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.521 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -55.13 -53.56 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.712 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 76' ' ' SER . 27.1 mt -60.23 -45.55 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.34 90.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.851 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.69 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.257 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 34.4 t -84.37 -49.97 8.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.796 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.73 136.1 33.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -170.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.418 ' HB3' ' HD3' ' B' ' 93' ' ' LYS . 10.0 pt-20 -156.37 155.24 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.432 173.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.69 30.86 1.13 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.723 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.53 -34.04 0.29 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.612 ' N ' ' HA2' ' B' ' 32' ' ' GLY . . . -112.48 123.85 6.46 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.836 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.6 m -72.46 -176.72 1.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.613 0.245 . . . . 0.0 110.837 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.1 tp -55.14 -36.3 65.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.345 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.5 m -66.27 -23.35 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -98.99 -52.14 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.633 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 56.7 pttt -64.78 -25.52 67.96 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.5 m -66.47 -39.4 88.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.523 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.0 t -71.25 -33.35 69.75 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.384 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -58.03 -42.32 85.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.07 -45.59 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.828 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.32 -43.22 88.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.04 0.448 . . . . 0.0 111.39 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.7 t -72.92 -25.51 61.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -82.63 -36.79 25.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.889 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.39 -42.15 98.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 0.0 110.368 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -69.66 -40.43 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.637 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER -72.74 -23.25 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.999 -178.531 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.6 m-85 -67.36 -27.79 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.46 -15.58 61.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -88.97 -46.31 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.36 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -75.51 -66.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.186 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 111' ' ' VAL . 1.7 t -96.55 -44.39 7.18 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.542 -176.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.11 -6.24 17.42 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.766 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.8 p -125.68 151.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.19 126.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.778 0.323 . . . . 0.0 111.081 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -81.84 94.93 7.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -62.59 -42.97 82.49 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 96.3 Cg_exo -46.3 -46.68 16.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.06 1.84 . . . . 0.0 112.271 174.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.649 ' O ' HG12 ' B' ' 120' ' ' ILE . 68.2 t80 -56.16 -52.08 65.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.414 176.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.5 mm -57.71 -41.76 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.089 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.65 -43.68 92.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.264 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 29.8 mm-40 -66.93 -28.47 68.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.012 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.649 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -61.82 -41.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.256 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -61.45 -30.41 70.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.698 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -74.53 -35.66 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.07 -51.94 67.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.35 -32.97 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.277 0.561 . . . . 0.0 110.937 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 8.8 t -86.82 -26.88 23.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.759 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -78.56 -37.31 43.02 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.624 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -67.08 -20.97 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.104 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.93 78.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.582 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -76.08 -25.79 55.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.373 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.88 3.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.18 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.56 29.0 73.97 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.451 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -84.17 12.33 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.678 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.084 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' THR . 12.1 p . . . . . 0 N--CA 1.445 -0.696 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.31 -23.72 56.08 Favored 'Trans proline' 0 C--O 1.224 -0.207 0 C-N-CA 122.038 1.825 . . . . 0.0 112.309 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 23.8 p90 -111.21 16.87 20.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.104 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' THR . 14.5 t -74.41 -17.16 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' A' ' 11' ' ' THR . 12.8 p30 -160.22 157.26 24.58 Favored Pre-proline 0 C--O 1.234 0.285 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.22 3.05 3.75 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.99 2.46 . . . . 0.0 113.147 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.34 6.81 59.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.981 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -131.2 -30.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.595 0.235 . . . . 0.0 110.781 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.59 67.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.065 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -37.56 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -61.68 -28.94 69.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.966 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.83 -32.94 72.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.599 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtt -85.56 -42.7 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 109.576 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.0 m120 -57.2 -46.42 82.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.739 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 m -64.88 -38.44 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.784 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 66.1 t80 -63.83 -52.77 58.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.6 mmm -57.66 -42.78 84.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.457 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 79.3 mm-40 -62.94 -44.67 95.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.66 90.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.557 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 51.2 tp -67.18 -31.95 72.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 0.0 111.266 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 t -65.9 -10.52 39.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.977 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 t -110.39 15.98 21.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.16 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.8 mmt -104.05 151.12 38.91 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.537 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 165.4 31.25 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 111.255 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 98.86 -39.32 2.78 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.783 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -90.84 165.0 13.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.947 0.404 . . . . 0.0 111.639 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -112.76 -169.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.448 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -34.91 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.019 0.438 . . . . 0.0 110.794 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -80.35 -35.18 35.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.565 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -78.6 1.34 22.99 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.932 0.396 . . . . 0.0 111.511 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.17 -18.71 19.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.01 170.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.05 -52.79 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.561 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -47.36 85.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.98 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.9 ptp -65.29 -36.74 85.01 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.2 m -66.73 -25.77 66.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.432 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 35.0 m -66.31 -47.74 72.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.105 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 80' ' ' ILE . 55.9 mt -64.37 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -52.88 -52.81 56.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.112 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.541 ' HA ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.44 -18.53 63.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -177.436 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' B' ' 51' ' ' SER . 48.9 m -75.38 -41.68 55.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.436 176.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 82.5 mmm -73.09 -38.1 66.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.684 -177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.3 m -69.68 -39.82 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.538 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.9 -34.86 64.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.0 p -66.79 -45.67 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 110.401 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.4 -44.46 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.84 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 78.8 mt-30 -61.36 -42.93 99.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -64.38 -40.17 95.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.408 . . . . 0.0 110.54 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 59.3 mt -66.87 -37.86 85.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.097 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.13 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.39 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -113.43 3.23 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.88 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.73 95.08 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.518 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 13.6 mmm180 -101.93 -1.47 31.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 -177.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 p -85.79 148.25 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.212 0.53 . . . . 0.0 112.137 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -150.48 151.07 30.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.65 -58.59 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.034 2.49 . . . . 0.0 113.179 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -62.09 -36.03 80.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 0.0 111.602 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 17.6 ttpt -73.59 -29.77 62.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.917 -176.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.39 -32.72 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.238 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.563 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.0 tt0 -65.16 -42.14 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.98 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.451 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.61 4.96 8.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 111.682 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 10' ' ' TRP . 5.3 m-80 -98.39 -46.35 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 84.1 mmm -60.81 -46.69 89.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.687 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -51.91 -39.62 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.387 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.3 t80 -68.95 -49.51 57.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.256 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -59.64 -37.74 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.636 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 50.4 m -63.21 -54.64 34.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.556 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 66.2 m -61.53 -30.27 70.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 24.7 mmt -66.58 -33.43 75.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.1 0.476 . . . . 0.0 109.836 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -46.96 43.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.948 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 75' ' ' SER . 67.7 mt-10 -53.93 -52.61 60.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 76' ' ' SER . 20.4 mt -58.72 -44.79 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.085 0.469 . . . . 0.0 111.332 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.62 84.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.399 0.619 . . . . 0.0 111.076 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.5 -2.06 48.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.676 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -78.85 -73.95 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.981 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -113.87 153.24 29.52 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.729 0.776 . . . . 0.0 111.628 -175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -112.51 167.12 10.71 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.364 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.15 -57.14 0.19 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.929 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.81 -26.99 13.36 Favored Glycine 0 CA--C 1.509 -0.321 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.886 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -169.18 150.31 15.26 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 p -55.34 157.84 3.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.503 -170.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.36 -52.84 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.353 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.53 -39.49 88.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.517 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -60.42 -51.88 67.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.348 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -75.95 -10.77 59.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.76 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -69.14 -44.55 72.08 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.7 t -63.74 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.071 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 35.3 m -56.25 -46.69 79.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.3 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.08 -47.16 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.682 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.45 90.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -67.08 -35.32 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.1 -39.13 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.33 -52.35 65.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -58.44 -48.32 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.524 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -54.45 -39.18 67.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.656 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.13 -28.99 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 48.9 m-85 -70.71 -35.86 72.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.197 0.522 . . . . 0.0 110.445 178.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.54 -17.11 60.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.547 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.9 mm-40 -86.79 -30.81 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 p -92.97 -68.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.636 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.7 p -87.91 -38.15 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.423 . . . . 0.0 111.1 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.17 12.61 31.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.0 p -153.59 150.16 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.68 131.94 66.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.93 125.14 41.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.805 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.51 -44.24 91.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -43.08 -48.11 8.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.515 2.143 . . . . 0.0 113.65 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.0 t80 -59.7 -45.67 91.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 110.73 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.19 -36.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -74.63 -20.94 59.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -36.9 63.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 174.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 116' ' ' PHE . 43.1 mm -66.05 -36.02 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.341 -175.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -63.48 -37.27 86.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.688 0.28 . . . . 0.0 111.142 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.71 -36.87 85.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.493 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.27 -52.84 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.672 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.68 -38.83 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.087 0.47 . . . . 0.0 110.8 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -68.92 -46.91 67.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.561 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 ptm -65.86 -43.73 87.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.493 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -67.32 -24.98 65.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.619 0.247 . . . . 0.0 110.922 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.38 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 0.0 110.901 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.73 -30.06 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.22 -61.85 1.65 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.942 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.13 39.77 92.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.397 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -79.32 8.15 6.59 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.767 0.794 . . . . 0.0 111.257 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.308 -1.202 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.599 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 43.9 Cg_endo -70.58 5.73 1.89 Allowed 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.404 2.069 . . . . 0.0 112.859 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' TRP . . . . . 0.448 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 15.1 p90 -138.87 21.35 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.969 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.448 HG23 HD22 ' B' ' 12' ' ' ASN . 10.1 t -68.88 -20.39 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 111.465 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.497 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 13.6 p30 -159.34 159.34 28.59 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 8.2 Cg_endo -50.46 -23.21 10.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.762 2.975 . . . . 0.0 114.554 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.75 -18.15 64.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.645 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.04 -32.4 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.81 0.338 . . . . 0.0 110.207 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -72.09 -36.05 69.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.441 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.75 -41.22 86.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.6 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.2 mtt -66.99 -47.6 71.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.564 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -61.21 -42.77 99.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.353 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.1 m -62.41 -36.46 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.741 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' B' ' 27' ' ' LEU . 78.3 t80 -67.62 -52.49 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.674 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' MET . . . . . 0.415 ' HB3' ' HE3' ' B' ' 24' ' ' MET . 76.8 mmm -57.51 -46.44 83.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.616 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -57.49 -43.0 83.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.965 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.29 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.568 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -66.79 -29.97 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.408 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -63.83 -12.9 40.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.547 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -111.84 11.59 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.44 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 23.3 mmt -95.86 152.27 38.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.812 -177.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.15 155.02 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.384 2.056 . . . . 0.0 111.309 174.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLY . . . . . 0.45 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 105.22 -31.04 8.95 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.294 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' B' ' 27' ' ' LEU . 68.8 m-85 -101.21 143.81 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.056 0.455 . . . . 0.0 111.142 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.2 p -90.03 173.06 8.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.628 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.02 89.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.551 ' HA ' ' OD2' ' B' ' 39' ' ' ASP . 64.1 m -88.44 -5.38 58.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -173.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -84.14 0.36 48.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.35 -20.68 17.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.392 170.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.551 ' OD2' ' HA ' ' B' ' 36' ' ' SER . 8.8 m-20 -65.75 -51.49 58.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.799 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -49.6 75.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.375 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 9.5 ptp -69.36 -32.83 72.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -66.32 -31.98 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.346 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 47.3 m -63.68 -41.37 98.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.191 0.52 . . . . 0.0 109.76 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.483 HD12 HD11 ' B' ' 80' ' ' ILE . 62.4 mt -67.51 -42.95 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -50.67 -51.89 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.449 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -15.94 62.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.725 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -82.37 -39.37 22.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.082 0.467 . . . . 0.0 110.153 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mmm -64.15 -46.69 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.421 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.432 HG13 ' O ' ' B' ' 45' ' ' ALA . 17.8 m -61.06 -41.26 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' B' ' 53' ' ' GLN . 47.4 mt-30 -69.1 -37.27 78.3 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.635 0.255 . . . . 0.0 111.613 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 89.7 p -65.04 -36.98 86.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.91 0.386 . . . . 0.0 110.304 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' B' ' 13' ' ' PRO . 73.3 mt -67.28 -42.8 88.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.48 ' OE1' ' HA ' ' B' ' 50' ' ' GLN . 80.2 mt-30 -61.39 -34.76 75.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -71.08 -36.62 72.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.304 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 51' ' ' SER . 83.0 mt -63.6 -34.7 78.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.43 85.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.709 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.2 79.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.927 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.69 -22.9 56.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.222 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.91 45.49 5.4 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.272 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.495 ' O ' ' HE3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -134.3 31.41 3.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 111.213 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -87.2 122.71 31.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.679 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.5 m -132.75 157.19 78.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -54.64 -57.9 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.643 2.228 . . . . 0.0 112.646 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.18 -29.47 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 4.3 tppt? -71.0 -41.19 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.648 -178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.56 -38.74 77.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.243 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.5 tt0 -61.79 -34.03 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.679 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.61 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.16 -14.03 51.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.793 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.88 -48.29 54.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.515 ' HB3' ' OE2' ' A' ' 79' ' ' GLU . 79.5 mmm -65.82 -42.55 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.49 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' OG ' ' A' ' 76' ' ' SER . . . -50.92 -42.04 59.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.115 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' B' ' 77' ' ' MET . 23.1 t80 -63.15 -50.97 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.588 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.42 -33.12 73.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.589 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -74.84 -46.0 39.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 14.6 t -69.64 -37.57 76.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.153 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.508 ' HG2' ' CE1' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.86 -7.6 49.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.443 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.42 -48.43 7.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.644 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' B' ' 79' ' ' GLU . 0.1 OUTLIER -64.94 -35.62 81.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.126 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.483 HD11 HD12 ' B' ' 44' ' ' ILE . 40.7 mt -60.57 -46.38 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.585 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.1 -1.2 24.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.785 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 60.4 m -86.07 -73.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 111.673 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.83 148.48 29.49 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 122.245 1.021 . . . . 0.0 112.584 -172.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -114.68 166.19 12.0 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 113.683 -1.598 . . . . 0.0 109.262 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.79 14.03 0.11 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.804 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.87 -38.31 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.192 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.45 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -173.36 143.89 7.44 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -48.72 158.4 0.31 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -168.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -56.16 6.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.193 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -62.22 -33.3 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.268 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 16.8 m -59.89 -50.43 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.873 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -77.15 -23.75 51.61 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.701 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 69.9 m -61.22 -45.12 95.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 109.996 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 18.2 t -65.12 -38.63 91.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.039 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.44 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 54.6 m -58.23 -46.93 85.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 177.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' B' ' 101' ' ' MET . 46.8 mt -61.25 -47.61 92.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 110.489 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.7 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.304 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -69.51 -34.73 74.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.81 58.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.631 0.253 . . . . 0.0 110.942 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 24.2 mmt -62.32 -49.46 75.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.651 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -63.12 -35.66 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.651 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.1 t30 -61.84 -42.65 99.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.971 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.42 80.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.536 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.597 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 28.8 m-85 -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 0.0 110.796 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 -18.21 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.061 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.9 mm-40 -85.15 -38.57 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 -74.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.416 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.8 t -92.08 -30.4 16.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.506 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.95 14.34 23.13 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.636 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.597 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -152.3 149.59 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.5 p -114.34 134.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.288 0.566 . . . . 0.0 112.147 -174.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.71 109.28 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.842 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.617 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 66.9 mt-30 -67.26 -38.84 17.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 2.6 Cg_endo -47.43 -44.0 25.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 122.009 1.806 . . . . 0.0 111.923 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.679 ' O ' HG12 ' B' ' 120' ' ' ILE . 60.1 t80 -60.02 -53.55 56.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.173 176.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.12 -42.08 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.62 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.85 -43.22 84.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.6 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.21 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.679 HG12 ' O ' ' B' ' 116' ' ' PHE . 37.9 mm -63.69 -41.48 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -177.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -60.34 -32.29 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 111.106 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.84 -37.36 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -58.04 -52.92 63.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.852 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.47 -44.34 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 110.574 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -68.1 -44.75 75.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.8 ptm -66.99 -37.76 84.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.166 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.04 72.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.042 0.449 . . . . 0.0 110.562 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -78.84 -27.33 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.826 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.21 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.15 15.05 64.77 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.385 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -78.57 10.41 3.23 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.302 0.573 . . . . 0.0 111.235 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.563 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 5.2 p30 . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.787 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' THR . 31.7 p . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.23 10.27 0.33 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.74 2.293 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -138.9 10.86 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.639 0.256 . . . . 0.0 111.266 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 8' ' ' THR . 15.0 t -74.16 -18.11 60.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.249 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -152.86 156.0 32.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.536 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 -31.61 83.67 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.644 2.229 . . . . 0.0 112.855 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.87 -50.05 67.22 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.094 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 18' ' ' ASN . 95.9 mt -73.72 -27.74 61.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.647 -0.325 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -48.36 82.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.234 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.32 -29.55 47.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 1.2 t-20 -54.8 -45.19 74.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.98 -43.1 77.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.692 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.0 mtt -70.1 -47.46 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.628 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.7 m-80 -58.72 -48.27 81.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 30.3 t -63.43 -35.38 80.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE2' HD22 ' A' ' 27' ' ' LEU . 85.6 t80 -62.96 -49.87 73.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.94 -34.07 76.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.8 mt-30 -55.59 -50.34 70.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.053 0.454 . . . . 0.0 110.574 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.85 -38.63 35.77 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.424 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 33' ' ' PHE . 26.5 tp -64.23 -31.74 73.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.712 0.292 . . . . 0.0 111.452 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 t -71.23 1.72 5.66 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -118.57 7.95 11.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.468 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -91.9 134.47 28.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.56 -17.24 26.72 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.008 2.472 . . . . 0.0 112.49 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.76 -16.46 74.35 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.079 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 27' ' ' LEU . 42.6 m-85 -115.57 174.36 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.629 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 p -129.5 163.2 26.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.218 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -65.3 -48.78 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.332 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -70.76 -47.24 60.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.879 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.58 -42.13 82.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.358 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.42 -44.11 92.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.182 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.29 -41.26 41.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.441 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.4 ptm -72.46 -25.84 61.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -64.17 -26.11 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.246 175.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -63.88 -41.88 97.64 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.136 0.493 . . . . 0.0 109.932 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -71.95 -38.69 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.261 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.55 30.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.315 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.8 pt20 -73.54 -23.75 60.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.547 -178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -68.14 -38.81 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 73.7 mmm -64.43 -50.58 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.89 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 46' ' ' GLN . 10.0 m -64.45 -35.01 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.519 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -71.87 -35.25 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.664 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.3 m -63.94 -42.52 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.765 0.317 . . . . 0.0 110.635 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 48' ' ' MET . 77.7 mt -56.15 -55.67 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.441 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.88 -30.68 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.658 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -67.81 -42.63 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.265 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 73.8 mt -69.65 -30.08 67.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.758 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.13 72.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.805 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 97.2 mt-30 -83.69 -7.53 59.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.288 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.77 31.67 64.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.606 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 17.7 mmm180 -99.28 -6.68 27.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -79.01 135.3 36.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.34 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -135.19 151.51 75.27 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.1 -54.92 4.67 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.817 2.345 . . . . 0.0 113.218 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.04 -27.68 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -68.86 -41.62 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.255 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.0 -40.47 94.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.486 0.66 . . . . 0.0 109.547 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 30.7 tt0 -58.47 -44.25 89.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.039 176.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.59 81.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.717 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.18 -25.65 67.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.8 m-20 -61.65 -40.48 95.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.4 mmm -73.74 -38.29 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.426 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.34 79.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.195 0.521 . . . . 0.0 110.535 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' N ' ' HE2' ' A' ' 48' ' ' MET . 87.8 t80 -68.45 -43.44 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.32 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.23 -39.14 85.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.771 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 p -80.57 -42.48 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.727 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 13.2 p -60.39 -34.56 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.23 0.538 . . . . 0.0 111.276 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.456 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 26.7 mmt -80.57 -13.39 59.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.885 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.62 -41.63 16.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.882 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 9.8 pt-20 -64.41 -42.99 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 76' ' ' SER . 15.7 mt -64.52 -31.32 53.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.543 0.687 . . . . 0.0 110.567 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.605 ' O ' ' HD3' ' A' ' 93' ' ' LYS . . . -79.31 -52.83 7.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.375 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.18 14.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.117 -0.947 . . . . 0.0 113.139 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.402 ' CB ' HD21 ' A' ' 133' ' ' ASN . 44.3 t -78.54 -67.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -174.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.22 152.43 44.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 112.033 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.05 -170.81 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.333 -174.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.63 -61.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.942 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.87 -48.26 1.39 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.088 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.49 174.22 20.14 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.737 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 39.9 t -91.87 178.83 5.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 90' ' ' LEU . 5.4 tt -60.52 -43.9 96.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 t -65.11 -19.63 66.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.483 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -83.06 -35.91 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.605 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 72.2 mttt -59.83 -48.73 80.5 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.786 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.4 m -55.44 -51.91 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.364 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -66.28 -34.68 78.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.544 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -60.41 -48.17 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.918 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.8 mt -67.67 -45.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.14 73.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.981 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.1 t -64.75 -37.09 86.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.95 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.33 71.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.577 ' SD ' HG13 ' A' ' 120' ' ' ILE . 42.7 mtt -69.34 -46.85 66.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.511 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 p -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 109.879 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.616 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -62.25 -45.35 93.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.873 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.25 76.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.675 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.05 -41.98 97.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.319 0.581 . . . . 0.0 110.501 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.85 -20.14 65.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.1 mm-40 -91.96 -25.94 18.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.718 0.294 . . . . 0.0 111.403 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 p -90.59 -64.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.371 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -90.74 -46.82 8.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.161 0.505 . . . . 0.0 110.621 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.39 3.28 10.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -154.78 149.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.65 123.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.644 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 1.9 m-20 -60.8 -28.72 68.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.593 -172.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 39.9 tt0 105.0 -67.95 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.24 0 C-N-CA 124.804 1.242 . . . . 0.0 113.806 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -55.66 -31.23 78.75 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 122.101 1.867 . . . . 0.0 113.466 -171.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.3 t80 -57.21 -44.67 83.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -69.74 -33.24 55.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.757 -175.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -62.95 -48.65 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.505 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.89 -31.76 72.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.947 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.7 mm -60.28 -35.66 63.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 58.1 p -61.46 -35.46 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.149 0.499 . . . . 0.0 110.858 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -72.25 -32.59 66.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.578 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 126' ' ' MET . 90.3 mt -63.31 -50.74 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.53 -32.46 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.929 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.8 t -86.8 -4.53 59.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.895 -174.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 26.8 ptm -102.16 -40.76 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.248 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -68.12 -17.08 64.27 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.689 0.28 . . . . 0.0 111.362 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.74 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.76 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -83.38 -26.54 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.266 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.08 -69.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.955 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 51.06 43.37 49.84 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.39 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.5 13.02 9.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.681 0.753 . . . . 0.0 110.574 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.402 HD21 ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.147 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.689 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.554 ' O ' HG22 ' B' ' 11' ' ' THR . 4.7 p . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 42.2 Cg_endo -69.8 6.43 1.33 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.351 2.034 . . . . 0.0 113.357 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 16.1 p90 -134.96 15.24 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 111.405 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 8' ' ' THR . 11.3 t -81.6 -8.96 59.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.461 HD22 HG23 ' B' ' 11' ' ' THR . 10.9 p30 -155.93 147.48 16.94 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.959 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.465 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 55.8 Cg_exo -53.29 -35.49 74.59 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.264 2.643 . . . . 0.0 113.008 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.7 87.15 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.995 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -83.6 -35.3 24.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.646 -0.326 . . . . 0.0 110.451 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.23 80.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.343 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 6.4 pt-20 -73.19 -36.08 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.864 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -37.05 76.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.9 -45.3 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.221 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.0 mtt -76.5 -37.02 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.456 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 4.5 m-20 -58.11 -57.04 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.432 177.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.45 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 8.0 t -69.93 -23.74 63.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.65 -50.16 74.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 93.4 mmm -66.23 -33.98 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 96.0 mt-30 -59.29 -48.58 81.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 110.031 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.83 72.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.367 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' B' ' 33' ' ' PHE . 19.9 tp -64.77 -34.42 78.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.638 0.256 . . . . 0.0 111.051 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -67.24 -9.22 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -112.05 17.3 19.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -103.97 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.326 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 -19.48 23.39 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 122.888 2.392 . . . . 0.0 112.869 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.42 -16.2 80.76 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.28 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' B' ' 27' ' ' LEU . 48.2 m-85 -118.95 151.12 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.561 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 p -119.44 169.89 9.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.43 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.27 70.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -65.16 -45.47 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.419 . . . . 0.0 110.647 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -66.71 -47.35 72.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.574 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.49 -38.04 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.925 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.88 -43.27 77.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.894 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -82.11 -41.03 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.126 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.4 ptm -77.09 -23.25 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -64.34 -29.53 70.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.549 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -66.15 -39.92 90.17 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 110.172 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.39 -38.88 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.924 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.25 -51.1 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 5.2 pt20 -75.66 -23.12 56.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.234 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -66.09 -40.68 90.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.91 -45.34 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.549 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -66.67 -39.84 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.017 -178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -66.95 -33.33 75.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.519 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 69.4 m -63.03 -52.07 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.13 -52.05 55.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.917 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -175.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -73.36 -28.97 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 60' ' ' ARG . 67.0 mt -76.43 -33.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.221 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.34 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.35 -15.49 63.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' B' ' 60' ' ' ARG . 49.5 mt-30 -105.13 -6.96 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.96 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 29.56 63.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.323 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.501 ' HG2' ' HB2' ' B' ' 58' ' ' GLN . 11.1 mmm180 -91.28 -8.79 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -79.98 143.78 33.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.28 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 17.6 m -146.25 151.58 44.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.34 -53.9 6.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.104 2.536 . . . . 0.0 112.853 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.85 -32.5 73.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 111.193 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 7.1 ttpt -71.82 -32.04 67.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.535 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 62' ' ' SER . 95.8 mt -67.35 -33.6 75.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.281 0.562 . . . . 0.0 109.733 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.16 -35.49 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.564 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -67.38 -18.92 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.2 9.26 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.74 -48.23 4.36 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 94.4 mmm -66.56 -43.3 85.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 174.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.3 -31.82 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.97 -43.29 62.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.115 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.72 -37.77 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.593 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -71.67 -42.52 67.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.043 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.426 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 7.8 m -71.16 -4.67 26.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.105 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 24.9 mmt -107.31 -6.52 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.009 0.433 . . . . 0.0 110.124 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.26 13.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.743 -175.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -74.72 -35.4 62.67 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.798 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mt -58.48 -45.71 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.31 -43.94 63.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.435 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.56 19.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -78.92 -60.23 2.46 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -170.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 155.9 38.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.577 0.703 . . . . 0.0 112.278 -170.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.9 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.183 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.58 -103.06 0.17 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.09 23.64 3.68 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.159 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.36 157.12 27.29 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.391 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 47.4 t -77.82 163.97 25.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.426 ' HA ' ' CE ' ' B' ' 93' ' ' LYS . 37.2 tp -59.77 -40.99 90.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.598 0.237 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -64.13 -39.65 94.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 m -64.17 -44.3 92.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.67 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 89' ' ' SER . 52.8 mtmt -61.67 -47.82 83.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.54 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.6 m -58.03 -46.15 85.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.146 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -68.54 -31.47 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.3 m -63.19 -46.13 88.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.686 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.22 -46.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.62 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.39 89.23 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.36 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -67.18 -42.23 84.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.472 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.495 ' SD ' HG13 ' B' ' 120' ' ' ILE . 51.2 mtt -69.47 -40.59 77.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -60.18 -37.42 80.14 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.7 t30 -62.48 -43.6 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.877 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.98 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.915 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.4 m-85 -66.34 -34.21 77.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 111.13 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.66 -17.53 59.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.6 mm-40 -86.37 -41.83 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.502 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.5 p -77.34 -73.54 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.845 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.41 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.6 t -91.9 -40.08 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.67 11.08 9.66 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.8 p -155.39 151.74 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.31 127.24 56.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.626 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 17.2 m120 -64.65 -41.08 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.791 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 63.6 tt0 102.88 -68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 125.399 1.48 . . . . 0.0 112.838 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.626 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 9.4 Cg_endo -50.98 -28.56 24.55 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.632 2.222 . . . . 0.0 113.427 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 53.1 t80 -57.39 -48.15 79.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.994 0.426 . . . . 0.0 110.192 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.84 -31.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.093 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.38 -33.22 75.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.595 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.83 -23.44 48.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' B' ' 101' ' ' MET . 29.8 mm -71.66 -40.59 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 -175.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 13.3 p -61.36 -33.54 73.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 0.0 111.368 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.52 -37.18 77.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.11 -39.49 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 26.3 t -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 -178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.5 ptm -77.01 -36.97 55.93 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.706 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -69.94 -15.62 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.371 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.18 96.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.072 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -78.72 -24.41 44.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.549 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.305 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.74 36.37 49.1 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.17 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -84.58 9.85 12.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.306 -1.29 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.161 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 40.7 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.23 4.6 1.88 Allowed 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.686 2.258 . . . . 0.0 112.932 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -138.63 18.05 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.258 . . . . 0.0 111.611 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -84.11 -14.48 50.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 178.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.42 147.35 33.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.88 -34.72 92.5 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.102 2.534 . . . . 0.0 112.889 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.4 30.83 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.779 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.65 -30.37 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.41 -0.465 . . . . 0.0 110.741 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.0 -39.64 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.696 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -57.45 -37.5 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.78 -52.78 62.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.439 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 22.5 ptp -78.34 -27.4 47.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.422 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -67.43 -41.13 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.987 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 p -73.69 -34.69 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.283 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.33 -52.65 64.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.7 mmm -59.92 -40.75 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.605 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 -38.01 89.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.077 0.465 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.19 56.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.02 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.86 -29.55 68.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -68.22 -2.29 7.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 t -115.44 15.53 16.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 110.209 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -102.87 134.54 19.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.81 -25.79 60.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.084 2.523 . . . . 0.0 113.159 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' A' ' 93' ' ' LYS . . . -74.5 -4.05 68.52 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.665 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 39.5 m-85 -124.74 155.44 39.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.578 0.689 . . . . 0.0 112.223 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.4 p -118.87 155.94 30.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.535 -177.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.61 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.028 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -65.37 -37.7 87.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.469 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 14.1 mm100 -85.05 -32.09 23.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.9 mt -61.33 -36.59 80.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.509 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.66 -47.16 83.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.037 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' HG3' ' B' ' 65' ' ' LYS . 1.5 m-20 -71.41 -41.62 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.273 -176.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -75.98 -28.05 57.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 0.0 110.771 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -69.36 -26.97 64.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.2 m -65.9 -39.95 91.08 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 176.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.55 ' O ' ' HG2' ' A' ' 48' ' ' MET . 53.4 mt -66.95 -39.45 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.368 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -46.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -75.17 -14.98 60.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.481 -178.351 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 46.0 m -81.68 -35.34 29.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.445 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 78.0 mmm -70.07 -48.98 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.793 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 46' ' ' GLN . 32.1 m -64.56 -32.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 47' ' ' SER . 12.4 pt20 -69.27 -34.48 74.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -70.98 -39.93 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.095 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 81.0 mt -61.68 -48.68 87.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.68 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.07 -37.21 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.028 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -60.28 -43.38 96.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 0.0 109.673 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -38.27 90.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.79 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.72 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -90.48 -9.41 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.304 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.3 32.71 72.32 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.265 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -111.05 23.48 14.07 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.2 p -77.7 136.51 38.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.747 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 m -143.64 147.6 39.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.25 -48.83 18.71 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.716 2.277 . . . . 0.0 112.694 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.22 -45.3 77.22 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -56.67 -36.25 69.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.177 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.12 -40.2 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.828 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.636 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.5 tt0 -65.7 -37.48 86.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.787 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.79 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.074 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.36 -29.79 22.68 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.98 -53.76 53.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.455 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.7 mmm -70.88 -30.39 66.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.227 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.24 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' O ' ' HG2' ' A' ' 77' ' ' MET . 90.3 t80 -62.13 -49.51 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.481 177.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.79 75.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.667 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -75.61 -38.52 58.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.8 m -61.59 -38.79 88.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.889 0.376 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -66.15 -34.37 77.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.311 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.99 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.215 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.54 -58.1 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.07 -34.92 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.199 0.523 . . . . 0.0 111.136 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HZ ' ' A' ' 33' ' ' PHE . . . -72.75 -38.14 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.442 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.83 -29.32 44.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.25 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -74.98 -55.86 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.669 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 32.9 mt-10 -120.07 134.97 55.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.274 0.559 . . . . 0.0 111.003 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.88 -54.51 3.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.49 -174.345 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.521 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . 80.79 -106.59 2.56 Favored Glycine 0 C--N 1.299 -1.505 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.915 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.47 2.17 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.95 129.35 2.23 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.2 m -65.88 154.96 37.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 0.151 . . . . 0.0 110.73 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.14 -48.22 53.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.858 0.463 . . . . 0.0 111.098 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 m -60.42 -39.92 89.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -66.67 -39.74 88.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 89' ' ' SER . 26.6 mtpp -65.02 -40.16 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 m -60.45 -46.14 91.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -65.18 -35.77 82.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.473 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.2 m -60.25 -46.86 88.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.816 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.11 -44.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.892 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.53 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.554 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -67.97 -33.11 74.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.95 58.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.86 -48.4 76.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.687 0.28 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.458 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 p -64.17 -33.05 74.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.503 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.3 t30 -65.17 -40.26 94.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.44 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.352 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 69.2 m-85 -67.19 -34.75 78.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 102' ' ' SER . 85.8 mt -71.83 -19.21 62.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.1 mm-40 -87.61 -36.85 17.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -86.58 -76.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.619 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.4 p -79.97 -43.42 22.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.59 2.69 24.15 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.5 p -155.21 150.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.577 -0.311 . . . . 0.0 110.3 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 114' ' ' GLN . 19.1 t -88.1 131.92 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 44.3 m-80 -69.05 -16.84 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 57.7 tt0 102.17 -79.61 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 125.058 1.343 . . . . 0.0 113.521 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD2' ' O ' ' A' ' 113' ' ' ASN . 42.3 Cg_endo -64.39 -12.64 34.1 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 121.956 1.771 . . . . 0.0 113.572 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.2 t80 -62.04 -48.97 77.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.817 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.7 mm -66.97 -30.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.201 0.524 . . . . 0.0 110.586 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.7 -33.96 76.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.375 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.29 -33.47 20.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.658 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.6 mm -60.53 -38.02 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.1 p -66.29 -28.27 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 111.033 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -81.07 -30.48 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' A' ' 126' ' ' MET . 92.2 mt -62.26 -50.54 71.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.69 -29.74 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.409 0.623 . . . . 0.0 109.897 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 t -84.76 0.23 51.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.932 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 27.3 ptm -110.65 -40.68 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.396 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -65.62 -25.49 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 111.125 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.99 89.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.694 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -82.0 -23.41 36.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.352 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.37 43.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.14 25.46 66.39 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.642 -0.708 . . . . 0.0 113.826 173.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -82.46 10.97 6.14 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.862 0.839 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.564 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.308 -1.231 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.051 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.25 5.15 1.27 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.612 2.208 . . . . 0.0 112.946 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.41 19.56 3.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.651 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.5 t -76.14 -21.36 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.422 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 33.1 p30 -146.28 156.89 49.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.823 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 12.4 Cg_endo -56.85 -32.05 90.8 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.698 2.265 . . . . 0.0 112.85 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.06 -56.64 23.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.92 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.12 -29.39 66.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.61 -0.347 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.81 80.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 7.7 pt-20 -73.74 -26.71 60.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 111.204 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.87 -25.63 67.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -58.48 -59.29 5.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.058 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -77.19 -19.98 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.062 -176.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.53 -41.24 80.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.762 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 p -79.07 -30.97 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.469 ' CE2' HD22 ' B' ' 27' ' ' LEU . 83.7 t80 -57.8 -55.31 36.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.41 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.89 -36.93 77.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.691 -0.232 . . . . 0.0 111.515 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.47 -43.91 93.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.82 -36.9 46.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.269 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.469 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.8 tp -65.35 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -66.15 -6.3 12.91 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.592 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -112.25 9.53 20.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.008 0.433 . . . . 0.0 110.137 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -96.17 142.65 24.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.043 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.33 -20.54 16.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.034 2.489 . . . . 0.0 112.804 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.51 99.81 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.12 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.58 156.52 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.842 0.353 . . . . 0.0 111.191 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.591 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 69.8 p -112.51 167.06 10.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.61 78.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.451 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 21.1 p -64.28 -39.86 94.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.591 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 11.7 mm100 -82.73 -36.77 25.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 110.512 -175.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.441 HD23 ' SD ' ' B' ' 41' ' ' MET . 84.9 mt -62.26 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 177.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.6 -27.61 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.067 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.78 -46.77 11.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.267 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.441 ' SD ' HD23 ' B' ' 38' ' ' LEU . 9.9 ptm -71.3 -20.07 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -174.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -63.56 -27.14 69.05 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 26.4 m -65.28 -47.54 76.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.965 0.412 . . . . 0.0 110.394 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.08 -34.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.442 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.06 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.326 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -80.3 -20.33 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.501 -178.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 50' ' ' GLN . 66.0 m -72.47 -41.52 65.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.917 0.389 . . . . 0.0 110.283 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.497 ' O ' HG13 ' B' ' 52' ' ' ILE . 87.9 mmm -62.53 -44.22 96.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -69.06 -34.45 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 47' ' ' SER . 13.2 pt20 -76.81 -31.35 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.817 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 66.6 m -68.0 -38.77 83.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 48' ' ' MET . 86.2 mt -62.21 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.966 0.412 . . . . 0.0 110.097 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.99 -37.06 85.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.3 t -62.68 -43.87 97.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.999 0.428 . . . . 0.0 109.894 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 51' ' ' SER . 90.2 mt -61.87 -37.56 85.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.4 -42.4 98.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.82 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.263 0.554 . . . . 0.0 110.782 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.0 -9.02 59.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.543 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.9 30.66 67.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.137 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -108.39 19.71 19.5 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.989 0.423 . . . . 0.0 110.693 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -83.22 124.15 30.26 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -146.32 149.76 38.92 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.98 -33.71 53.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.113 2.542 . . . . 0.0 112.472 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.28 -61.74 2.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG3' ' OD2' ' A' ' 40' ' ' ASP . 26.2 mtmm -65.17 -30.92 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.929 -176.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.53 -37.94 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.911 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.7 tt0 -70.46 -35.99 73.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.178 0.513 . . . . 0.0 109.947 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.48 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -63.91 -25.52 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.921 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.46 5.12 51.51 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.812 0.815 . . . . 0.0 109.594 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.68 -53.27 4.1 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.46 -37.41 87.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.581 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.99 -39.03 71.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.358 . . . . 0.0 111.402 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' B' ' 77' ' ' MET . 86.2 t80 -68.38 -45.8 71.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.052 0.453 . . . . 0.0 109.98 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -37.97 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.421 -178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.3 p -79.47 -33.45 42.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.4 t -63.94 -39.59 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.427 . . . . 0.0 110.12 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 28.8 mmt -68.47 -29.02 67.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.78 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.682 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 83' ' ' SER . 2.4 tm-20 -57.93 -59.56 5.06 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.01 -45.86 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.12 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.808 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.85 -4.62 49.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.233 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -76.14 -53.86 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -176.228 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -119.23 -166.49 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -178.514 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.02 -163.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.452 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.31 -140.55 2.9 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -28.59 13.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.339 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.06 -149.95 19.51 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.139 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.9 m -96.14 173.57 7.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.11 -47.64 85.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -63.29 -27.99 69.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.787 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.5 m -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.019 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 52.0 mtpt -63.39 -37.96 89.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' THR . . . . . 0.459 HG23 ' HB ' ' B' ' 124' ' ' VAL . 25.5 m -56.75 -49.09 76.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -75.15 -27.95 59.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -59.24 -42.49 91.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 110.518 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' B' ' 101' ' ' MET . 67.1 mt -67.17 -47.62 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.173 177.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.77 85.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 8.6 t -65.46 -38.22 89.17 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 110.672 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.08 -32.78 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.705 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 22.2 mmt -63.02 -47.76 81.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 2.5 p -61.39 -30.52 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 4.0 t30 -68.94 -43.07 75.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 176.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.5 84.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.623 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.519 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.4 m-85 -66.6 -33.7 76.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.411 . . . . 0.0 111.118 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 102' ' ' SER . 97.6 mt -75.13 -21.25 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 80.6 mm-40 -82.48 -46.22 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.817 0.341 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -71.16 -75.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.864 -178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.7 t -92.69 -38.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.382 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.91 8.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.923 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.9 p -156.79 151.73 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.432 HG12 ' H ' ' B' ' 114' ' ' GLN . 35.1 t -105.06 137.41 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.357 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 18.9 m120 -69.1 -33.62 73.8 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 119.547 -0.263 . . . . 0.0 111.574 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 43.7 tt0 103.42 -69.72 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 125.178 1.391 . . . . 0.0 113.204 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 25.8 Cg_exo -62.02 -28.39 80.41 Favored 'Trans proline' 0 C--N 1.364 1.388 0 CA-C-N 121.398 1.535 . . . . 0.0 112.56 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.631 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.4 t80 -54.2 -50.29 67.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.61 -40.78 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.91 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -65.93 -44.2 85.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.749 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.42 -35.76 80.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.579 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.631 HG12 ' O ' ' B' ' 116' ' ' PHE . 31.9 mm -62.02 -39.1 82.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 111.308 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 44.5 p -63.94 -32.97 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 110.524 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -72.78 -34.38 66.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.17 -58.8 6.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.459 ' HB ' HG23 ' B' ' 94' ' ' THR . 17.4 t -58.34 -34.33 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.199 0.523 . . . . 0.0 110.41 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -65.11 -50.28 66.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.98 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 28.3 ptm -69.27 -34.31 74.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.461 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.92 -24.05 66.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.637 0.256 . . . . 0.0 111.404 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.8 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.302 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.437 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.36 64.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.96 25.43 69.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.436 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -103.88 18.02 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.449 0.642 . . . . 0.0 110.526 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.636 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.79 -1.96 6.84 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.492 2.128 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -133.71 23.17 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.747 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 t -68.36 -24.93 64.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.548 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 5.8 p30 -150.76 157.01 36.21 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.623 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.5 Cg_endo -50.34 -37.78 51.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.279 2.653 . . . . 0.0 113.146 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.77 12.34 3.8 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 113.811 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.7 mt -128.75 -38.82 1.66 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.95 83.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.9 pt-20 -73.04 -36.87 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.856 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -68.51 -26.32 65.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.5 -45.28 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.022 0.439 . . . . 0.0 109.919 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 mtt -64.25 -46.08 85.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.608 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.4 m-80 -58.07 -49.37 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.756 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -62.51 -36.83 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.148 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.82 -52.64 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.55 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.457 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 83.3 mt-30 -71.38 -15.72 62.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.68 -41.51 2.69 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.096 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -65.06 -24.57 67.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.77 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 p -58.52 -23.46 58.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.428 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -114.43 26.74 9.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -96.87 139.34 21.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.517 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 -18.65 35.2 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.103 2.535 . . . . 0.0 113.155 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.98 -8.23 87.68 Favored Glycine 0 C--N 1.319 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.187 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -125.21 141.16 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 111.488 -175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.9 p -104.63 165.54 10.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.748 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.24 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -84.77 -35.33 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -68.05 -50.48 54.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.116 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.67 -38.65 78.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.122 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.98 -39.52 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.407 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -77.66 -41.51 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.354 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -78.9 -22.85 45.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -60.82 -15.85 34.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.14 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -63.03 -51.49 66.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 0.0 110.97 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.57 -23.82 28.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.936 -174.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -42.38 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.71 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 49' ' ' VAL . 34.6 mt-30 -89.16 -29.33 19.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.554 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -61.2 -40.95 95.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.96 -42.25 49.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.8 m -68.79 -36.55 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.391 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.51 -26.02 62.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 39.0 t -69.13 -46.78 66.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.674 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.63 -44.7 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.81 -35.24 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.186 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.3 m -66.96 -43.15 83.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.081 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.26 -35.24 80.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.733 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.28 94.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.745 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.37 65.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.688 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -87.03 -16.38 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.707 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 29.55 61.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.322 -0.466 . . . . 0.0 112.374 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -105.87 13.01 30.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 0.0 110.314 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.0 p -78.86 116.37 19.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 6.5 m -138.29 155.77 73.94 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 -176.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.82 -19.7 26.02 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.29 2.66 . . . . 0.0 113.535 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' A' ' 62' ' ' SER . 1.9 p30 -90.01 -46.66 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -46.39 80.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.03 -25.72 55.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.378 -176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.49 ' OE1' ' HB3' ' B' ' 133' ' ' ASN . 7.4 tt0 -66.55 -46.41 76.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.591 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.27 1.83 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.297 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 28.9 mt -112.89 0.64 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 171.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -86.81 -52.6 5.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.439 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 43.5 mtp -83.35 -22.09 32.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.337 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.83 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 0.0 110.421 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG2' ' A' ' 77' ' ' MET . 85.6 t80 -70.82 -45.55 64.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.517 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.84 85.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.458 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.413 ' HA ' HD13 ' A' ' 123' ' ' LEU . 9.2 p -73.09 -40.22 65.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.026 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.712 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 30.8 mmt -67.23 -40.13 86.31 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.036 -0.415 . . . . 0.0 110.325 176.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.2 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.104 0.478 . . . . 0.0 109.802 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.519 ' OE2' ' HB2' ' B' ' 71' ' ' MET . 34.2 tt0 -52.82 -59.8 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.862 176.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 76' ' ' SER . 23.1 mt -58.7 -45.37 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.989 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.06 92.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.372 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.35 -17.56 56.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.231 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -65.73 -64.48 0.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -132.9 133.29 43.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.656 0.741 . . . . 0.0 110.609 -174.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -86.13 161.26 18.96 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.72 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.49 -28.75 0.12 Allowed Glycine 0 N--CA 1.437 -1.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.741 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.84 -59.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.417 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.13 22.35 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.401 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.403 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 16.4 m -53.68 151.37 6.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -170.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.16 -50.92 47.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -61.84 -34.79 76.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.967 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 6.4 m -68.46 -35.28 77.35 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -60.31 -42.22 95.09 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.026 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -53.08 -51.21 62.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.974 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -70.19 -32.94 71.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -62.97 -50.19 71.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 101' ' ' MET . 56.5 mt -64.85 -41.78 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.414 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.71 78.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.301 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -64.36 -42.06 96.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.385 . . . . 0.0 110.219 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.652 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -66.11 -30.18 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.7 mmt -71.01 -46.97 61.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.979 0.419 . . . . 0.0 110.173 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 p -64.14 -33.49 75.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.901 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.652 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.2 p-10 -81.31 -25.02 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.343 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.13 72.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.815 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.1 m-85 -61.8 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.54 -19.93 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 68.1 mm-40 -84.41 -36.42 22.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.931 0.396 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 -75.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.141 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -88.75 -37.51 15.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -175.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.22 15.89 16.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.951 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.61 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -152.86 149.9 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.91 131.58 52.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -87.57 113.52 23.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.6 tp60 -65.54 -52.19 45.94 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -56.09 -33.62 90.45 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.073 1.849 . . . . 0.0 112.015 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.571 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.1 t80 -60.21 -52.86 63.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.192 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.1 mm -61.67 -33.9 59.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.834 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.25 -46.86 81.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 43.4 mm-40 -64.26 -31.87 73.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.4 mm -59.68 -36.05 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.226 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -66.39 -23.68 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 111.199 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -81.07 -39.39 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.431 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' SER . 91.5 mt -56.92 -53.31 59.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.329 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.05 -28.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 111.034 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -96.98 3.5 51.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.768 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -108.11 -41.06 5.02 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.337 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -65.01 -21.6 66.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 111.654 -176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.084 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.34 -22.36 41.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.666 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.46 -46.37 63.03 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.25 0.548 . . . . 0.0 110.624 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.83 7.23 74.82 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.845 170.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -80.97 -0.72 40.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 122.082 0.944 . . . . 0.0 110.464 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.574 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.353 0.121 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.72 -1.3 7.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.928 2.418 . . . . 0.0 112.054 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -130.85 21.73 4.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.327 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.1 t -66.81 -16.81 64.53 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.694 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -137.03 151.66 72.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.95 -35.25 70.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.223 2.615 . . . . 0.0 113.203 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.84 70.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.863 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.2 -30.69 66.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 0.0 110.703 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.17 82.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.28 -30.45 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.39 -39.52 83.63 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.785 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.0 -48.05 76.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.724 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.7 mtt -70.68 -44.08 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 30.4 m-80 -60.12 -47.13 87.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.818 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 107' ' ' GLN . 37.6 m -64.55 -34.03 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CE2' HD22 ' B' ' 27' ' ' LEU . 75.8 t80 -61.37 -51.04 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.747 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.25 -34.02 76.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.8 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 87.8 mt-30 -67.39 -25.62 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 111.202 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.21 -25.6 13.9 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.1 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.474 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -78.43 -28.05 46.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.861 0.363 . . . . 0.0 111.29 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -60.58 -27.12 67.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.555 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -99.14 9.06 44.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.778 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.9 mmt -85.69 132.17 45.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.246 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.96 -17.41 32.15 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.868 2.379 . . . . 0.0 112.578 -177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLY . . . . . 0.577 ' O ' ' HG2' ' B' ' 93' ' ' LYS . . . -70.69 -12.79 70.95 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.762 -176.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.17 158.72 27.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.641 0.721 . . . . 0.0 111.516 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.583 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 22.7 p -111.23 160.36 17.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.021 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.35 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.722 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.1 m -66.76 -53.53 32.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.587 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.583 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 6.9 pt20 -75.53 -18.18 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.592 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 34' ' ' THR . 40.9 mt -63.73 -30.47 71.57 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.633 174.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.51 -44.49 82.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.985 0.421 . . . . 0.0 110.071 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' HA ' ' B' ' 37' ' ' GLN . 38.2 m-20 -57.83 -47.46 82.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.671 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.487 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 4.6 ptm -79.48 -25.82 41.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.335 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -66.4 -38.87 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.522 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.6 m -63.89 -49.38 72.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.301 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.434 HD12 HD11 ' B' ' 80' ' ' ILE . 30.9 mt -65.26 -34.92 73.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -49.74 -55.34 14.32 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.553 175.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.512 ' HA ' HG22 ' B' ' 49' ' ' VAL . 40.1 mt-30 -69.71 -31.89 70.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.524 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.56 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 46.1 m -61.19 -41.63 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 0.0 110.442 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 91.6 mmm -71.0 -45.57 63.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.952 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -63.72 -37.09 78.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.9 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -76.43 -27.48 56.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.686 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -68.67 -37.54 79.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.33 -44.26 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.323 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.518 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 57.0 m -65.04 -39.64 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.66 -42.12 96.4 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.604 0.24 . . . . 0.0 110.611 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.97 95.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.591 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.64 -28.59 64.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -84.81 -8.78 58.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 28.11 60.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.915 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -133.37 65.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.44 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.02 121.87 46.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.086 174.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.461 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 3.7 m -137.76 160.38 65.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.877 -175.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 18.6 Cg_endo -53.92 -44.16 51.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.248 2.632 . . . . 0.0 112.476 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -80.08 -27.33 39.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.01 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 1.5 tppt? -68.11 -46.16 71.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.337 0.589 . . . . 0.0 110.068 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 64.0 mt -72.85 -28.2 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.02 -45.29 89.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.532 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.17 79.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 69' ' ' LEU . 33.9 mt -86.59 7.91 24.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.217 0.532 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -94.69 -54.64 3.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.247 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.519 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 22.4 mtp -76.8 -25.93 53.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.492 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.26 70.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.336 0.588 . . . . 0.0 110.515 173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.596 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.7 t80 -72.64 -43.82 62.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.573 174.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.88 -38.84 92.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.437 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -70.86 -42.24 70.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -56.88 -40.82 76.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.571 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -66.19 -35.98 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.398 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.22 81.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.209 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.439 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 43.2 mt-10 -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.762 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.434 HD11 HD12 ' B' ' 44' ' ' ILE . 41.6 mt -63.48 -46.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.079 0.466 . . . . 0.0 111.004 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.94 92.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.452 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.76 -13.57 59.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.984 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 10.7 t -71.79 -63.28 1.16 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.947 0.403 . . . . 0.0 109.994 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.66 127.09 36.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.567 . . . . 0.0 110.47 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 17.0 pt-20 -84.56 -36.86 21.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.814 0.816 . . . . 0.0 110.17 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.83 -113.65 6.07 Favored Glycine 0 C--N 1.299 -1.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 112.429 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.86 58.01 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -113.22 113.78 3.24 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.605 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 50.8 m -62.22 145.22 54.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.715 0.258 . . . . 0.0 111.54 -171.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.19 -51.21 8.35 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.51 0.724 . . . . 0.0 111.976 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -58.47 -39.7 80.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.983 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -67.3 -39.24 85.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' B' ' 89' ' ' SER . 21.1 mtpp -62.43 -39.54 93.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.127 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -59.25 -47.54 84.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -68.23 -33.08 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.6 m -59.82 -47.02 87.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.7 -45.48 81.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.83 89.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.773 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -75.86 -17.94 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.34 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -90.54 -31.27 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.61 -45.47 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.61 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -59.56 -34.79 73.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.222 0.534 . . . . 0.0 110.673 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.4 t30 -59.56 -53.82 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.378 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.67 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.844 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 23.0 m-85 -65.2 -38.16 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.214 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.49 -14.43 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 73.1 mm-40 -89.57 -31.64 17.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.0 p -92.66 -78.68 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.864 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.0 t -84.81 -30.48 24.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.98 10.9 35.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.59 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -151.31 151.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 131.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.855 0.359 . . . . 0.0 111.193 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -87.35 105.72 17.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.661 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -58.54 -50.19 89.36 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.585 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 9.9 Cg_endo -53.47 -39.03 83.59 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.263 1.975 . . . . 0.0 112.469 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.7 t80 -59.72 -51.2 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.322 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.86 -37.66 72.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.88 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.72 -45.49 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.769 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.24 -30.64 71.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.896 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -62.25 -41.1 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.045 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -66.11 -28.07 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -74.0 -34.14 64.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.093 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.04 -50.72 70.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 t -59.54 -39.82 80.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.307 0.575 . . . . 0.0 110.141 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 27.5 t -63.87 -48.73 75.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.31 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 23.6 ptm -66.39 -44.81 82.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.561 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' B' ' 126' ' ' MET . 25.6 m-85 -65.72 -25.34 67.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.55 73.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.737 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.94 -25.02 28.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.683 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.95 -60.11 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.612 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.36 74.26 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.852 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -81.2 12.81 3.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.742 0.782 . . . . 0.0 110.987 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.49 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.871 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.6 -11.46 23.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.624 2.216 . . . . 0.0 112.891 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 p90 -126.17 22.54 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -76.87 -14.84 59.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -146.33 148.14 33.54 Favored Pre-proline 0 C--O 1.234 0.282 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 11.5 Cg_endo -56.98 -33.92 96.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.88 2.387 . . . . 0.0 113.095 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.65 65.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.867 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.03 -33.4 70.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.651 -0.323 . . . . 0.0 110.808 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.94 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.863 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 15.3 pt-20 -75.37 -27.37 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.571 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 m-20 -67.47 -35.06 78.44 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -54.69 -35.14 63.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.492 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.44 -57.6 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.508 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 10.2 p30 -70.54 -38.61 74.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.097 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.8 m -63.12 -25.94 68.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 110.946 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 27' ' ' LEU . 70.7 t80 -78.83 -50.66 10.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.349 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.36 -37.41 87.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.08 -175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.9 mm-40 -57.18 -42.36 81.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.1 -37.8 24.19 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.278 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 23' ' ' PHE . 30.3 tp -68.49 -30.6 69.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.241 . . . . 0.0 111.411 -176.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -62.48 -23.32 66.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 p -104.81 15.18 28.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.343 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.9 mmt -96.63 148.41 34.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.6 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.85 160.3 43.64 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.328 2.019 . . . . 0.0 111.378 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.05 -41.87 2.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.418 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.7 m-85 -89.27 162.96 15.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -120.5 155.01 34.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.437 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -15.33 48.51 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -99.73 -27.26 13.74 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -76.24 -27.18 56.66 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.236 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 2.0 mm? -68.43 -36.37 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.092 178.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.16 -41.17 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 -175.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.542 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 17.0 t70 -70.16 -44.81 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.083 0.468 . . . . 0.0 110.002 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.2 ptm -74.38 -29.61 61.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.032 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -69.16 -25.08 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.472 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 m -74.98 -39.46 61.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 48' ' ' MET . 54.6 mt -62.98 -36.56 76.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.046 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -48.67 -57.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.277 175.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 36.8 mt-30 -70.08 -21.81 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.731 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -67.6 -35.92 79.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 82.4 mmm -74.91 -36.91 62.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.482 0.658 . . . . 0.0 109.339 175.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 41.9 t -62.77 -55.42 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.062 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.97 -20.24 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.162 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.555 ' HB2' ' OG ' ' B' ' 47' ' ' SER . 10.4 p -74.87 -38.1 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 48' ' ' MET . 80.0 mt -56.77 -47.73 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 172.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.19 -36.93 81.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.847 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 m -71.55 -29.18 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.341 . . . . 0.0 110.252 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.27 -42.04 76.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.25 68.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.992 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 49.9 mt-30 -80.5 -22.38 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.827 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.13 42.14 12.7 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.995 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HE ' HG23 ' B' ' 43' ' ' THR . 9.1 ptm180 -131.52 20.37 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.82 124.72 25.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.361 176.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 15.5 m -143.06 158.2 59.21 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 17.8 Cg_endo -54.29 -44.96 44.63 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.106 2.537 . . . . 0.0 112.131 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -71.91 -31.79 66.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.02 -174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -42.94 75.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 110.286 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 62' ' ' SER . 59.6 mt -68.26 -41.54 80.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' B' ' 133' ' ' ASN . 32.4 tt0 -55.37 -54.71 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.084 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.97 -32.79 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.526 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.25 -30.82 67.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.786 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.1 -48.01 83.64 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.64 -36.74 70.82 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.704 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -57.76 -39.47 77.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.143 0.496 . . . . 0.0 110.267 175.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 70.0 t80 -67.63 -50.7 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.18 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.03 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.507 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 t -68.06 -45.53 73.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 80' ' ' ILE . 11.4 p -69.14 -35.95 76.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.911 0.386 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.4 mmt -65.02 -37.78 88.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.63 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.35 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 73.3 tt0 -58.75 -55.55 33.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 177.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 76' ' ' SER . 29.6 mt -58.35 -38.13 67.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.645 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . . . -68.77 -47.84 65.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.415 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -26.95 65.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.953 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.953 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -140.94 146.45 37.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.684 0.754 . . . . 0.0 112.17 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -98.87 -166.09 1.32 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.162 172.827 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -49.32 0.44 Allowed Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.573 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.6 9.6 73.63 Favored Glycine 0 CA--C 1.504 -0.644 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 85' ' ' GLU . . . 170.39 -179.43 42.53 Favored Glycine 0 N--CA 1.436 -1.338 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 m -77.38 167.56 21.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 117.134 0.467 . . . . 0.0 110.243 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.25 -46.66 79.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.45 85.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -58.09 -50.11 74.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 85' ' ' GLU . 7.7 ptmm? -82.97 2.36 35.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -86.88 -51.7 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -63.14 -31.0 72.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.671 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 t -52.94 -48.71 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.742 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.72 -45.83 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.01 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.648 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -72.15 -33.42 67.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.15 -31.11 30.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.326 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.2 mmt -60.46 -47.66 85.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.178 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 p -63.35 -33.54 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.676 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.3 t30 -63.77 -44.5 93.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.569 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.82 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.799 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 54.8 m-85 -68.14 -37.36 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.05 0.452 . . . . 0.0 110.961 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.53 -19.92 62.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.3 mm-40 -88.18 -23.21 23.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.953 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -94.93 -72.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.729 0.3 . . . . 0.0 111.73 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.9 p -89.64 -43.16 10.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.51 22.62 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 13.4 p -129.63 146.88 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.402 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.53 127.6 74.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -74.27 114.82 13.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.264 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 64.4 tt0 -56.63 -53.7 61.68 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.769 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.69 -37.95 84.27 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.346 2.031 . . . . 0.0 112.833 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 120' ' ' ILE . 56.7 t80 -57.36 -52.83 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.0 mm -59.49 -39.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.007 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.27 -42.91 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 15.9 mm-40 -70.25 -29.62 66.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.091 -174.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 116' ' ' PHE . 51.6 mm -56.09 -34.57 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.612 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -60.79 -33.15 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.55 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.0 -32.5 70.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.98 -54.19 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.73 -38.45 75.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.221 0.534 . . . . 0.0 110.13 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.0 t -63.67 -48.91 75.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.499 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.6 ptm -68.57 -38.84 81.06 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -66.82 -16.76 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.462 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.27 95.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.793 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -78.12 -27.78 48.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -59.61 -62.44 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.333 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.28 4.33 50.07 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.747 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.73 5.19 22.19 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.675 0.75 . . . . 0.0 111.129 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.608 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.586 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.7 p . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.94 -15.62 50.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.7 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -122.02 25.65 8.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.586 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.0 t -75.38 -26.62 58.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -140.11 151.94 66.16 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.628 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 50.9 Cg_exo -55.11 -33.39 83.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.117 2.545 . . . . 0.0 113.138 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.74 -10.13 60.41 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.38 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -109.57 -33.63 6.73 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.91 0.386 . . . . 0.0 109.974 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.06 89.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.945 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.628 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -86.1 -16.63 37.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.203 -179.149 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.97 -35.11 77.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -56.32 -40.91 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 175.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -61.73 -53.75 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.846 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 2.0 p-10 -72.22 -37.48 69.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -174.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.8 p -68.21 -40.02 82.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.12 -49.77 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.644 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mmm -61.4 -39.94 92.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 76.1 mt-30 -64.39 -46.74 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.284 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -63.86 -44.71 95.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.257 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' B' ' 30' ' ' MET . 30.5 tp -65.68 -28.85 69.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -65.29 -15.56 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -111.64 13.43 21.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.281 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 24.5 mmt -101.69 148.73 35.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.268 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.96 151.76 35.67 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.292 1.995 . . . . 0.0 111.231 174.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 -16.09 49.68 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.726 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' B' ' 93' ' ' LYS . 47.3 m-85 -122.76 130.52 53.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.962 0.41 . . . . 0.0 111.21 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.0 p -88.12 156.21 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -10.65 15.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -94.2 -27.16 16.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.31 -35.94 30.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.473 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.09 -36.37 77.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.489 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.89 -42.45 98.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.148 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' THR . 12.5 t70 -69.03 -44.7 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.034 -175.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.497 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 10.8 ptm -77.96 -25.58 48.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.277 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.5 t -65.35 -24.01 67.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 109.739 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.534 HG23 ' HE ' ' A' ' 60' ' ' ARG . 74.7 m -64.28 -43.01 96.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.43 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' B' ' 48' ' ' MET . 49.9 mt -69.47 -37.21 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.346 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.444 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -52.38 -59.15 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.905 0.383 . . . . 0.0 110.651 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -59.78 -32.28 70.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.093 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.555 ' OG ' ' HB2' ' A' ' 51' ' ' SER . 8.0 t -65.26 -43.36 91.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.905 0.384 . . . . 0.0 110.027 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 75.8 mmm -72.65 -40.87 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.35 0.595 . . . . 0.0 109.59 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 45' ' ' ALA . 36.5 t -55.01 -46.52 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.808 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.85 -26.29 40.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.861 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 72.9 m -65.13 -42.98 93.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 173.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -57.36 -44.71 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.669 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.05 -32.91 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.3 m -69.63 -34.29 73.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.578 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.88 -38.22 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.226 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.2 91.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.412 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.45 83.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.14 -27.07 53.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.094 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.65 33.95 6.84 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.795 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 35.24 4.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.33 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -87.63 121.66 30.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.459 0.647 . . . . 0.0 111.064 175.505 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.4 m -128.39 150.36 74.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.78 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.76 -41.48 69.46 Favored 'Trans proline' 0 C--O 1.224 -0.216 0 C-N-CA 122.736 2.291 . . . . 0.0 112.435 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.41 -46.27 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.412 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.542 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 27.6 mtmm -62.42 -41.25 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.612 0.244 . . . . 0.0 111.376 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.86 -42.91 89.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.134 0.492 . . . . 0.0 109.807 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -56.37 -55.48 33.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.388 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -62.16 -31.64 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.457 -177.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 mt -68.43 -30.24 69.08 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.599 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.85 -44.42 93.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 97.0 mmm -74.6 -36.61 62.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.55 -40.18 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.4 t80 -66.94 -47.94 70.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.465 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.81 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.492 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -67.13 -49.4 64.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.463 ' O ' HG13 ' B' ' 80' ' ' ILE . 6.7 p -64.78 -36.13 83.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 110.883 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.4 mmt -62.64 -37.17 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.208 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.65 80.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.663 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.722 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 85.6 tt0 -60.91 -50.63 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.118 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 76' ' ' SER . 22.2 mt -56.54 -40.53 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.46 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.47 55.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.154 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.75 -9.6 38.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.086 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -76.28 -72.8 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.513 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -147.91 -176.38 5.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.364 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -170.05 -174.49 1.78 Allowed 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.861 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.55 -76.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.859 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.66 17.18 10.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.111 -173.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.84 -149.85 24.42 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.675 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -154.96 156.49 36.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.21 -49.57 71.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.346 0.404 . . . . 0.0 110.853 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -61.75 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -57.35 -50.62 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 0.1 OUTLIER -76.03 -23.43 55.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.238 -173.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 86.1 m -66.58 -48.89 68.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.171 0.51 . . . . 0.0 109.719 174.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 t -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.112 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -65.06 -54.01 36.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' B' ' 101' ' ' MET . 68.5 mt -61.65 -41.01 88.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.04 80.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -36.78 84.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.605 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -70.8 -35.04 72.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.051 0.453 . . . . 0.0 111.098 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.8 mmt -66.14 -34.29 77.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.5 m -64.52 -43.72 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.666 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.2 p-10 -75.74 -26.51 57.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.664 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.63 93.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.008 178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 24.1 m-85 -67.04 -33.88 76.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.57 -19.09 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.224 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.666 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 71.0 mm-40 -86.46 -42.49 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.686 178.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -74.32 -73.39 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.837 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 30.0 p -87.03 -38.99 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.66 6.55 30.66 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.9 p -140.48 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.68 130.75 60.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.258 0.552 . . . . 0.0 111.167 -175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' B' ' 115' ' ' PRO . 56.8 t30 -87.81 113.2 23.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.742 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.47 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 75.4 mt-30 -61.47 -52.14 72.25 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.546 ' HD2' ' OD1' ' B' ' 113' ' ' ASN . 79.8 Cg_exo -47.66 -41.82 30.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 122.276 1.984 . . . . 0.0 112.625 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.601 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.3 t80 -60.54 -55.55 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 113' ' ' ASN . 42.6 mm -57.87 -39.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.994 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.75 -42.52 86.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.747 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 28.8 mm-40 -70.78 -26.02 63.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 116' ' ' PHE . 51.4 mm -61.83 -36.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 63.3 p -61.74 -34.56 76.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 0.0 110.837 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -70.56 -35.15 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.802 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.07 -55.41 34.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.377 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -39.2 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.522 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 16.5 t -67.99 -47.84 67.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.538 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -67.77 -35.53 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.01 -22.45 62.15 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.163 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.98 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -79.25 -33.2 43.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.932 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.03 53.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.234 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.57 29.75 67.36 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.368 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.17 4.74 22.16 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 121.826 0.822 . . . . 0.0 110.792 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.41 ' HA ' ' CD ' ' A' ' 67' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.307 -1.257 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 174.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.15 -33.14 91.38 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.279 1.986 . . . . 0.0 112.091 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -94.25 23.34 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.525 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -77.7 -16.48 58.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.358 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -149.72 147.18 22.08 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-O 120.537 0.208 . . . . 0.0 111.304 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.39 -36.57 87.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.607 2.871 . . . . 0.0 113.628 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.13 -38.81 88.09 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.113 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -87.42 -29.52 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.697 -0.296 . . . . 0.0 110.732 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.47 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.16 -21.2 43.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -37.68 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.172 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -55.61 -43.91 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.5 mmt -64.46 -45.22 88.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -64.76 -45.37 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.239 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 16.2 p -74.04 -19.1 60.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CE2' HD22 ' A' ' 27' ' ' LEU . 81.2 t80 -82.33 -57.85 3.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.8 mmm -63.52 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.343 -0.39 . . . . 0.0 112.038 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' A' ' 22' ' ' SER . 2.4 pt20 -63.47 -28.46 69.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.388 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.55 -31.43 7.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.874 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 33' ' ' PHE . 40.5 tp -67.25 -30.11 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.196 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -69.84 -1.78 10.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 t -116.22 14.12 15.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 0.0 109.826 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.8 mmt -100.08 138.32 20.26 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.77 -12.5 22.03 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.121 2.547 . . . . 0.0 113.013 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.49 -12.34 80.22 Favored Glycine 0 C--N 1.316 -0.543 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.844 -175.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' HD11 ' A' ' 27' ' ' LEU . 72.1 m-85 -122.02 164.83 17.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.181 0.515 . . . . 0.0 111.796 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 44.3 p -111.84 174.4 5.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.456 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.51 72.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.572 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -46.35 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.27 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.31 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.945 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.0 mt -64.19 -36.17 83.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.35 -51.09 70.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.069 0.461 . . . . 0.0 110.193 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 55.0 m-20 -60.8 -45.57 93.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.312 -176.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.531 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 6.5 ptm -79.7 -26.64 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.408 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -67.34 -32.72 73.87 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -64.77 -45.85 84.62 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.965 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 48' ' ' MET . 66.5 mt -64.56 -42.85 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.829 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.6 -54.27 12.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 49' ' ' VAL . 44.5 mt-30 -73.78 -30.83 62.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.58 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 8.9 t -61.55 -41.36 97.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.574 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -63.6 -48.66 76.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 46' ' ' GLN . 8.2 m -65.68 -33.29 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.85 -29.59 55.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.575 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 22.9 t -71.19 -38.05 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.956 174.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 48' ' ' MET . 78.7 mt -61.18 -43.18 95.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.11 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -62.04 -35.26 78.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.6 m -65.23 -40.36 93.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.501 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.38 -38.26 84.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.92 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.67 91.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.67 -27.14 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.123 0.487 . . . . 0.0 111.237 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -88.53 -3.14 58.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 34.07 75.35 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.094 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -131.87 49.33 2.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.348 0.594 . . . . 0.0 111.411 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 122.75 41.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.553 173.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -137.37 150.86 70.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.38 -42.97 52.42 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.911 2.408 . . . . 0.0 112.596 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.58 -51.01 71.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -67.43 -35.33 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.61 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.58 -41.33 72.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.486 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.44 -45.66 93.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.59 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.56 -33.87 73.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.981 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.68 -29.54 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.77 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.78 -47.47 85.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.414 ' SD ' ' CE2' ' A' ' 116' ' ' PHE . 96.0 mmm -75.52 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -52.36 -44.0 64.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.87 0.367 . . . . 0.0 110.137 174.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.4 t80 -68.17 -49.23 62.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.496 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.78 -33.72 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.012 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 m -77.81 -30.76 51.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 10.3 p -88.26 4.57 45.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.05 0.452 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -97.14 -15.73 20.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 169.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.05 -53.16 8.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.963 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -70.85 -31.69 68.47 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.603 -177.262 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mt -57.19 -44.16 83.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.324 0.583 . . . . 0.0 109.509 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -69.27 -54.3 15.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.622 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.55 -49.45 64.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.676 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -57.72 -66.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.06 153.55 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.221 -168.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.26 -174.24 2.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.191 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.89 -133.75 4.06 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.042 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 1.9 71.42 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.49 115.88 3.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.08 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.9 t -69.98 172.4 7.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.23 -41.34 96.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -69.12 -36.75 77.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.301 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -66.32 -48.0 71.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.359 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.93 -33.96 76.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.143 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.7 m -67.59 -48.81 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.397 . . . . 0.0 111.038 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.8 p -68.93 -30.43 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.822 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -54.52 -53.39 55.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.792 177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.1 mt -65.87 -42.94 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.78 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.55 80.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.99 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.6 t -67.14 -35.62 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 0.0 110.715 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -78.24 -28.84 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.5 mmt -70.13 -35.78 74.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.293 0.568 . . . . 0.0 109.773 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' VAL . 37.6 t -65.42 -39.9 92.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.663 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.1 p-10 -76.65 -23.33 53.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.92 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.72 90.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.915 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.582 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 45.4 m-85 -72.56 -29.99 64.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.731 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.66 -13.93 61.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.33 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.663 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 72.0 mm-40 -94.0 -40.73 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.687 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -74.3 -54.73 7.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.318 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 t -115.39 -27.28 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.498 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.62 31.55 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.503 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.6 p -153.27 151.88 10.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 102' ' ' SER . 3.9 p -125.82 132.42 70.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 0.0 111.003 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.38 120.01 20.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.311 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.44 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 25.1 mp0 -56.0 -50.41 87.46 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.161 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.2 Cg_exo -44.74 -47.89 11.1 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.345 2.03 . . . . 0.0 112.87 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' HG12 ' A' ' 120' ' ' ILE . 64.7 t80 -54.67 -50.18 68.83 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.518 0.512 . . . . 0.0 111.261 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.07 -33.76 65.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.244 0.545 . . . . 0.0 110.26 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -73.79 -22.51 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 39.8 mt-10 -76.43 -47.43 23.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.313 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 116' ' ' PHE . 33.1 mm -60.19 -39.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.296 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -61.98 -27.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.096 0.474 . . . . 0.0 111.518 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -83.3 -29.55 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.66 -46.19 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.18 -38.19 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.052 0.453 . . . . 0.0 110.978 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -78.47 -41.34 32.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.877 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -63.29 -43.31 98.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.707 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.82 -30.22 71.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.622 0.249 . . . . 0.0 111.243 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.77 -39.75 91.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.171 0.51 . . . . 0.0 111.081 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -24.38 28.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.924 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -57.03 14.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.08 33.11 27.29 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.029 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -76.68 1.14 17.87 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.261 1.029 . . . . 0.0 110.335 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 113.507 -1.679 . . . . 0.0 109.485 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.4 -19.9 61.4 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -109.69 26.46 10.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.213 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.447 HG23 HD22 ' B' ' 12' ' ' ASN . 15.0 t -76.38 -15.86 59.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.264 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -150.21 152.38 33.41 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 12.1 Cg_endo -56.18 -36.6 96.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.821 2.347 . . . . 0.0 112.889 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.44 8.55 9.5 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.418 0.449 . . . . 0.0 113.855 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -125.03 -30.59 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.31 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.543 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -80.65 -33.3 35.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.696 179.291 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.57 -37.84 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.911 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -53.51 -43.01 67.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 mmt -61.45 -46.33 90.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 109.838 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -64.96 -44.13 90.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.507 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 53.6 p -67.69 -15.14 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.797 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' B' ' 27' ' ' LEU . 77.8 t80 -90.19 -51.31 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 110.644 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 94.3 mmm -66.47 -22.03 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.146 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -63.29 -34.53 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.66 -33.33 6.79 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.306 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 33' ' ' PHE . 40.0 tp -65.62 -25.81 67.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.224 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -63.93 -17.18 62.98 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.5 m -122.08 32.77 5.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.959 0.409 . . . . 0.0 110.805 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.4 mmt -98.97 137.47 20.5 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.485 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.83 -26.9 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.009 2.473 . . . . 0.0 113.595 -174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.31 82.6 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.991 -0.624 . . . . 0.0 114.191 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' B' ' 27' ' ' LEU . 24.4 m-85 -116.37 170.12 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.496 0.648 . . . . 0.0 112.446 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 55.4 p -118.96 178.65 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.234 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.89 -11.49 58.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.288 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -90.77 -42.51 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.548 ' NE2' ' HB2' ' B' ' 84' ' ' GLU . 0.5 OUTLIER -57.02 -46.98 81.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.785 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.21 -44.38 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.904 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.39 -45.73 82.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.346 . . . . 0.0 110.94 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' B' ' 43' ' ' THR . 0.9 OUTLIER -67.01 -42.04 85.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.343 -177.654 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.514 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 11.7 ptm -77.2 -30.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.035 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.0 t -64.39 -30.11 71.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.399 0.619 . . . . 0.0 109.401 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 69.0 m -62.42 -42.54 99.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.217 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.587 ' O ' ' HG2' ' B' ' 48' ' ' MET . 51.5 mt -73.59 -35.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.64 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.182 0.515 . . . . 0.0 110.467 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' B' ' 49' ' ' VAL . 70.6 mt-30 -67.01 -35.1 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 49.9 m -59.54 -37.58 78.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 0.0 110.281 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 77.7 mmm -69.08 -44.72 71.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.6 m -69.86 -34.48 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.812 0.339 . . . . 0.0 111.217 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -70.36 -38.54 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.619 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 70.3 m -61.21 -46.24 91.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.839 175.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.72 -41.24 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -64.65 -40.71 95.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.294 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -63.11 -37.66 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.445 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.834 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.96 86.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.655 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.29 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.008 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -86.04 -16.01 39.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.33 36.16 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.249 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -116.19 19.16 15.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.5 p -74.83 120.01 19.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.042 0.448 . . . . 0.0 111.14 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -136.83 147.09 57.85 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.779 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.14 -37.45 79.74 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.061 2.507 . . . . 0.0 112.781 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.12 -50.2 74.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.486 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 49.5 mttm -64.68 -41.94 95.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.485 -177.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.97 -42.86 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.25 -48.88 77.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.915 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.47 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.079 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.31 -33.79 76.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.768 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' B' ' 70' ' ' ASN . 9.4 m120 -60.89 -42.41 97.92 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.104 175.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -73.34 -41.19 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.561 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.553 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -53.41 -40.91 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 0.0 110.255 175.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.606 ' O ' ' HG2' ' B' ' 77' ' ' MET . 76.9 t80 -67.41 -53.92 24.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.22 -35.44 71.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.945 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 -39.62 41.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.045 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.598 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 22.7 p -70.95 -31.49 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -67.62 -25.44 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 109.957 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -51.25 20.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.681 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.598 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -62.12 -41.51 98.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.161 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.557 HD11 HD12 ' B' ' 44' ' ' ILE . 16.4 mt -60.13 -45.43 95.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' B' ' 33' ' ' PHE . . . -66.42 -42.54 87.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 110.441 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.53 71.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.921 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -64.38 -78.37 0.05 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.548 ' HB2' ' NE2' ' B' ' 37' ' ' GLN . 2.9 mp0 -76.97 170.61 16.2 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.375 0.607 . . . . 0.0 111.63 -175.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.69 -167.16 2.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.667 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.01 -66.34 0.53 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.988 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -106.19 -0.76 38.36 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.755 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.41 119.27 1.75 Allowed Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.333 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -73.59 178.53 4.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.31 -39.38 82.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.538 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -75.94 -31.02 58.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.087 0.47 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -70.26 -51.23 32.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.3 -33.42 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 84.6 m -68.06 -45.52 73.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.241 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.1 p -71.81 -31.2 66.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.385 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -58.61 -44.68 90.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.76 177.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.89 -48.18 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.598 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.85 84.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.4 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -60.62 -44.0 96.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.673 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.8 75.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.18 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.48 -42.44 99.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -59.12 -33.4 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.5 t30 -76.26 -42.46 45.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.18 -42.24 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.756 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.653 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.3 m-85 -65.68 -31.56 72.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 0.0 111.394 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.89 -22.76 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.756 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 31.5 mm-40 -78.64 -39.32 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.37 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -85.0 -69.16 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.505 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.9 t -97.81 -31.9 11.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.703 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.46 24.72 9.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.564 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -158.28 149.85 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.04 128.58 57.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 0.0 111.652 -174.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.38 101.26 4.03 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -53.59 -52.91 62.74 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 10.1 Cg_endo -53.46 -43.09 60.48 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.257 1.972 . . . . 0.0 112.402 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 46.1 t80 -53.87 -45.91 71.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.28 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -66.84 -31.14 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.582 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.7 -10.77 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 115' ' ' PRO . 40.6 mt-10 -85.59 -42.26 14.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 116' ' ' PHE . 16.8 mm -62.81 -30.67 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.181 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 28.0 p -66.22 -20.95 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.489 . . . . 0.0 111.498 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -90.88 -28.15 18.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.579 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.2 mt -69.5 -50.94 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.096 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.92 -39.1 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.4 p -74.3 -46.13 43.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.708 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.5 ptm -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.525 -175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.61 -31.51 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.78 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.54 . . . . 0.0 110.687 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -74.21 -39.07 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.743 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.65 68.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.909 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.83 39.68 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.405 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -71.61 0.37 8.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.633 0.73 . . . . 0.0 110.93 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 12.1 p30 . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.256 178.671 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 11' ' ' THR . 2.2 p . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.98 2.38 3.71 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.542 2.161 . . . . 0.0 112.731 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -138.84 18.4 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.72 0.295 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.584 HG23 ' OD1' ' A' ' 12' ' ' ASN . 10.1 t -67.39 -28.06 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.185 0.517 . . . . 0.0 110.95 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.584 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.6 p-10 -159.96 153.16 18.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.0 Cg_endo -51.05 -35.42 50.82 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.181 2.587 . . . . 0.0 112.706 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -12.73 31.87 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.807 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -115.81 -26.16 7.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.297 0.549 . . . . 0.0 110.879 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.05 97.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 14.1 pt-20 -78.42 -7.97 57.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -83.37 -27.58 29.56 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.279 -0.263 . . . . 0.0 110.861 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.32 -52.21 66.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.918 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -30.17 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.482 0.182 . . . . 0.0 111.275 -176.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -65.08 -45.94 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.527 . . . . 0.0 109.896 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -66.9 -22.3 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.359 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 27' ' ' LEU . 87.7 t80 -78.93 -56.88 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.794 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.99 -29.86 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.056 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.99 -17.45 64.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 111.216 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.84 -24.18 6.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.542 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 33.8 tp -71.91 -22.79 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.536 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -63.92 -18.81 64.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -107.48 16.8 23.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmt -102.99 150.28 37.66 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.52 171.97 17.09 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.533 2.156 . . . . 0.0 110.914 172.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 90.57 -47.64 3.04 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.47 -0.872 . . . . 0.0 112.403 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -102.97 122.5 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.938 0.399 . . . . 0.0 110.587 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 46.8 p -86.7 166.09 15.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.25 40.13 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.317 0.386 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -65.67 -46.37 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.317 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 84' ' ' GLU . 11.1 mm100 -71.82 -25.14 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -169.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -69.43 -21.57 63.73 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.508 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.51 -41.71 94.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 109.77 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 39.3 m-20 -66.48 -42.51 87.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.619 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 80' ' ' ILE . 12.4 mtp -76.37 -38.8 55.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.678 -175.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -63.57 -26.74 68.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.4 m -62.66 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.331 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.1 mt -72.86 -36.08 51.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.422 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.32 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.743 176.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.26 -37.98 75.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.886 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -56.38 -43.36 79.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 88.4 mmm -68.29 -45.5 72.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.297 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 33.2 m -65.52 -39.38 84.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.756 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.25 -45.27 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.483 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.2 m -56.97 -46.67 82.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.047 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 99.0 mt -63.58 -46.73 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.786 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.1 pt20 -70.23 -27.49 64.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 0.0 110.064 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 51' ' ' SER . 46.8 mt -63.42 -36.18 82.88 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.092 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -34.97 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.507 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.87 -42.1 64.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.74 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -70.57 -20.82 62.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.268 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.16 49.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.011 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 14.4 mtp180 -111.92 31.59 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.507 -175.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -82.99 128.51 34.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.369 0.604 . . . . 0.0 111.979 -176.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -151.6 146.13 18.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.72 -49.75 14.79 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.735 2.29 . . . . 0.0 112.484 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -71.02 -27.91 64.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 18.4 ttmm -73.42 -35.92 65.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.35 -34.05 75.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.535 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.3 -34.94 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.69 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -4.1 28.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.167 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 mt -112.98 5.23 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.09 -53.31 4.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.59 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.444 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 33.3 mtp -79.99 -22.99 41.87 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.8 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.76 -33.52 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.497 172.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 77' ' ' MET . 81.0 t80 -76.99 -42.57 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 0.0 110.114 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.51 -32.1 72.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.639 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -81.67 -40.65 22.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.538 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.7 p -63.73 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.074 0.464 . . . . 0.0 110.803 178.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -65.64 -31.49 72.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.87 -39.92 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 76' ' ' SER . 10.5 pt-20 -71.72 -22.91 61.56 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.859 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 76' ' ' SER . 5.1 mt -75.22 -48.18 32.67 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.434 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -60.71 -51.46 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.146 -176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.98 98.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.394 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 m -78.81 -46.42 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.879 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HB3' HE21 ' A' ' 37' ' ' GLN . 31.3 mm-40 -96.5 138.28 34.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.724 0.773 . . . . 0.0 112.351 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -95.15 -155.9 0.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.675 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.69 -94.17 0.14 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.341 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.2 25.38 6.71 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.688 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -173.89 155.14 21.27 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.95 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.3 t -83.64 -167.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.76 -40.76 80.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.9 m -68.49 -32.74 72.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 m -77.9 -48.88 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.872 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -61.17 -35.71 77.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -69.98 -48.09 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m -65.79 -33.1 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -59.58 -55.18 37.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.491 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 81' ' ' ALA . 56.7 mt -65.3 -40.36 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.39 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.89 -176.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.9 t -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.07 73.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.989 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.06 -47.2 75.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.6 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 18.4 m -57.67 -36.2 71.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.309 0.576 . . . . 0.0 110.276 176.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.8 t30 -64.05 -38.46 91.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.966 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.05 95.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 71.7 m-85 -66.28 -32.67 74.22 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.283 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.9 mt -71.9 -17.49 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 62.6 mm-40 -91.54 -36.28 13.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.723 0.297 . . . . 0.0 110.71 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -71.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.447 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.3 p -87.95 -54.84 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.974 0.416 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.82 -5.77 9.05 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.5 p -131.49 148.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.58 132.52 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.403 -175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.41 99.76 6.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.509 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 36.1 tt0 -57.71 -49.49 93.48 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 51.3 Cg_exo -55.46 -38.17 94.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.79 1.66 . . . . 0.0 111.916 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.618 ' O ' HG12 ' A' ' 120' ' ' ILE . 28.5 t80 -60.55 -52.04 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.76 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.277 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.257 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.11 -30.04 66.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.3 mm -60.22 -37.19 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.195 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.1 p -63.84 -33.05 74.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.616 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.49 -34.6 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.821 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 99.3 mt -60.8 -51.32 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.73 -35.39 70.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.175 0.512 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.2 t -66.27 -54.59 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.69 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -60.79 -39.82 90.29 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -65.92 -22.45 66.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.476 0.179 . . . . 0.0 111.313 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.748 0.308 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -88.91 -24.54 22.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.781 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.98 84.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.599 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.88 76.84 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.758 -0.656 . . . . 0.0 113.282 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -80.05 6.56 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.883 0.849 . . . . 0.0 110.638 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.126 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.602 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.46 -15.14 28.62 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.363 2.042 . . . . 0.0 112.708 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -126.92 23.79 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.456 HG23 ' ND2' ' B' ' 12' ' ' ASN . 8.8 t -66.16 -27.59 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.786 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.456 ' ND2' HG23 ' B' ' 11' ' ' THR . 12.2 p30 -152.58 155.4 32.65 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 50.5 Cg_exo -56.5 -28.33 73.21 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.98 2.453 . . . . 0.0 112.549 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.6 -11.37 56.86 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.074 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -111.85 -39.81 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.854 0.359 . . . . 0.0 110.059 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.35 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.717 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 16.7 pt-20 -70.14 -26.31 63.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.517 . . . . 0.0 110.876 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -87.13 -7.64 57.8 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.132 -0.355 . . . . 0.0 111.217 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -65.97 -53.84 33.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -27.02 63.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.974 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 29.7 m-80 -64.32 -53.63 45.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 175.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -60.24 -33.56 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.672 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.575 ' CE2' HD22 ' B' ' 27' ' ' LEU . 80.4 t80 -65.54 -53.52 40.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.064 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.1 mmm -60.58 -37.81 82.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.718 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.4 mt-30 -57.26 -47.26 81.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.47 . . . . 0.0 110.472 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -76.25 -33.18 49.88 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.451 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.0 tp -71.87 -31.9 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.812 0.339 . . . . 0.0 111.278 -177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -67.96 -8.77 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 p -113.54 21.45 15.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.458 . . . . 0.0 110.406 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 23.9 mmt -109.11 147.32 35.69 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.0 151.31 30.68 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.095 1.863 . . . . 0.0 110.95 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLY . . . . . 0.523 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 117.91 -39.76 2.52 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.556 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -102.11 126.25 49.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.334 0.588 . . . . 0.0 111.298 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -90.68 178.14 6.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.411 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.53 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.196 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.4 m -64.69 -48.74 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' B' ' 41' ' ' MET . 15.8 mm100 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.06 -33.81 76.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.97 -47.9 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.6 -45.12 84.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.434 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.1 ptp -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -64.24 -29.53 70.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.131 0.491 . . . . 0.0 109.739 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 m -68.27 -52.37 34.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.381 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.402 HD12 HD11 ' B' ' 80' ' ' ILE . 57.4 mt -64.23 -40.09 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.178 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -43.98 71.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 110.975 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.436 ' O ' HG22 ' B' ' 49' ' ' VAL . 19.0 mm-40 -73.99 -35.78 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.2 t -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.825 0.345 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.24 -42.01 93.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.38 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 16.2 m -68.4 -35.66 71.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.641 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.35 -46.14 91.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.453 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 54.5 m -57.83 -49.54 76.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.314 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.84 -47.94 87.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.744 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.7 pt20 -69.51 -31.18 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.206 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -67.0 -34.07 76.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 51' ' ' SER . 62.6 mt -69.7 -28.29 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.62 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.16 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 110.993 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.59 -3.78 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.155 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.98 84.35 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.546 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -111.84 15.91 20.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.643 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -80.31 121.01 25.12 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 34.9 m -143.85 158.49 56.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.627 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 12.2 Cg_endo -51.81 -43.23 52.88 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.47 2.78 . . . . 0.0 112.577 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -83.1 -36.94 24.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.628 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 20.3 mtmm -69.05 -35.32 76.45 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.85 -35.37 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.453 . . . . 0.0 110.141 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.09 -38.68 87.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.305 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.73 8.44 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.87 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 mt -121.71 4.78 10.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.361 0.6 . . . . 0.0 109.386 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -85.56 -50.43 7.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.659 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtp -85.43 -24.9 27.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.41 -29.86 50.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.422 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.584 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -80.46 -39.71 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -66.07 -32.93 74.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.318 -178.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.5 p -75.45 -42.91 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.7 p -64.58 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.8 mmt -68.25 -33.71 74.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.916 0.389 . . . . 0.0 110.249 175.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -43.56 68.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.061 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 76' ' ' SER . 11.0 pt-20 -67.37 -30.68 70.54 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.19 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' SER . 24.0 mt -70.65 -49.76 49.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 174.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' B' ' 93' ' ' LYS . . . -63.19 -55.42 25.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.985 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.5 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.977 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 43.1 m -67.08 -55.56 13.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.74 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.41 161.18 15.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.733 0.301 . . . . 0.0 111.436 -173.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.3 -168.45 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.34 -37.71 0.64 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.907 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.43 19.27 9.24 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.523 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.01 141.3 5.52 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -90.09 -172.53 3.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.18 -35.54 67.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.96 0.41 . . . . 0.0 111.109 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -72.71 -48.68 36.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.116 0.484 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -48.28 82.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.205 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 81' ' ' ALA . 18.8 ptpt -63.97 -25.24 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.249 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 95.6 m -78.04 -53.98 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 48.7 m -65.82 -31.24 72.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.455 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -57.47 -50.25 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.47 -49.21 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.32 77.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.788 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -65.99 -43.6 87.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.87 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.606 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.5 mmt -60.61 -47.91 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -59.7 -34.2 72.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.038 0.447 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.5 t30 -65.13 -43.88 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.814 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.58 80.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.501 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.617 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 34.9 m-85 -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.259 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.43 -24.24 60.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 67.3 mm-40 -80.61 -32.8 36.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -86.66 -74.36 0.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.084 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 35.3 p -89.87 -45.45 9.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.1 0.476 . . . . 0.0 111.246 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.19 14.53 13.11 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.617 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -144.39 147.65 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.5 127.22 60.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.074 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.2 102.24 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 35.7 tt0 -54.45 -54.54 47.37 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.462 -176.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 12.2 Cg_endo -55.85 -37.37 95.9 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.015 1.81 . . . . 0.0 112.121 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.599 ' O ' HG12 ' B' ' 120' ' ' ILE . 41.8 t80 -58.59 -51.94 67.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.519 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.41 -38.61 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -68.32 -45.71 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.447 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 53.9 mm-40 -61.22 -28.5 69.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.304 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.3 mm -60.9 -40.8 86.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.34 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.3 p -61.47 -37.38 83.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.345 0.593 . . . . 0.0 110.606 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -38.76 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.525 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.19 -53.17 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.71 -38.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 0.0 110.573 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 31.6 t -67.31 -45.2 77.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.49 -40.44 77.04 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -67.01 -20.5 65.88 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.94 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -84.58 -23.44 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.299 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -48.4 77.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.91 28.42 73.64 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.342 173.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.52 10.26 4.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.439 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.617 178.417 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.71 -10.49 28.93 Favored 'Trans proline' 0 C--O 1.222 -0.317 0 C-N-CA 122.24 1.96 . . . . 0.0 112.058 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.2 p90 -124.33 17.65 9.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.462 HG23 HD22 ' A' ' 12' ' ' ASN . 8.8 t -73.58 -16.26 61.25 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.787 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.462 HD22 HG23 ' A' ' 11' ' ' THR . 11.6 p30 -156.99 152.33 21.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.09 -34.38 77.73 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.003 2.469 . . . . 0.0 112.692 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.12 -50.18 70.5 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.879 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.26 -34.04 72.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.65 -0.324 . . . . 0.0 110.879 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.97 83.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.992 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.52 -27.04 63.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.759 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -71.24 -22.4 61.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.04 -44.64 97.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.125 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -61.98 -45.97 91.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -59.37 -49.84 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.26 -26.94 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.046 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -77.25 -51.48 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.02 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.295 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.94 -22.4 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 0.0 110.47 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.93 -38.49 4.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.926 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.98 -31.28 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.278 . . . . 0.0 111.159 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 t -63.45 -16.65 61.22 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.244 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -99.95 9.95 42.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.043 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -93.38 147.71 34.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.097 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.71 -28.29 6.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.819 2.346 . . . . 0.0 113.206 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.37 -5.8 68.2 Favored Glycine 0 C--N 1.328 0.116 0 CA-C-N 116.088 -0.505 . . . . 0.0 114.189 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -124.69 153.27 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.207 0.527 . . . . 0.0 111.612 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 41.3 p -112.76 158.95 19.47 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.1 -178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.51 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.564 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 p -65.62 -60.22 3.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.8 mm-40 -67.54 -26.04 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.739 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 34' ' ' THR . 64.3 mt -61.78 -34.05 75.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.927 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.63 -36.22 70.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.714 0.292 . . . . 0.0 110.587 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.94 -48.74 80.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.278 0.561 . . . . 0.0 110.24 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.47 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 8.3 ptp -74.08 -32.66 63.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.63 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m -60.6 -35.3 75.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.029 0.443 . . . . 0.0 109.837 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -59.72 -41.08 90.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.763 176.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 HD11 ' A' ' 80' ' ' ILE . 47.7 mt -75.57 -37.49 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.647 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.06 72.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.546 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.754 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 t -59.98 -40.21 88.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.526 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 90.7 mmm -68.53 -44.62 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -177.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.03 -37.25 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.047 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.91 -37.77 88.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.7 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.58 -39.74 95.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 69.9 mt -66.38 -47.1 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.275 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.77 -46.33 89.49 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.769 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 p -65.21 -43.83 90.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.4 -32.32 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.015 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -38.58 77.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.95 86.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.392 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -75.17 -13.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.045 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.24 62.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.108 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -105.56 4.78 30.75 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.164 0.507 . . . . 0.0 110.598 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -85.69 124.31 32.07 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.895 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 65' ' ' LYS . 7.1 m -114.64 157.86 41.78 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.99 -35.18 59.89 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.468 2.112 . . . . 0.0 112.302 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -84.3 -26.74 28.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.776 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -76.41 -29.81 57.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.896 0.379 . . . . 0.0 110.271 -177.431 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.85 -31.48 69.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 0.0 110.253 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.44 -42.54 74.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.385 172.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -73.79 71.22 1.47 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.944 0.878 . . . . 0.0 110.23 176.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 6.5 mt 175.62 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.621 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.18 -44.01 96.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -32.21 60.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.857 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.345 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' N ' ' HE2' ' A' ' 48' ' ' MET . 57.9 t80 -63.47 -49.55 73.19 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.87 -39.62 81.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.635 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -76.43 -32.46 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.578 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 t -67.7 -32.3 72.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.374 0.607 . . . . 0.0 110.163 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 41' ' ' MET . 12.0 mmt -75.32 -22.58 57.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.05 21.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 16.4 pt-20 -61.43 -37.16 82.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.472 0.177 . . . . 0.0 110.727 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 44' ' ' ILE . 16.1 mt -65.2 -55.27 21.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.876 0.369 . . . . 0.0 110.451 176.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.22 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.03 92.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.957 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 m -81.21 -45.09 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.803 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -127.12 150.93 49.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 111.739 -176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.41 176.44 10.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.143 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.8 -8.17 3.16 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.446 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.28 40.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.06 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.58 123.97 1.91 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.006 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -66.52 169.78 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.69 -42.94 84.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -68.96 -37.88 79.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 m -66.04 -47.86 72.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.054 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.57 -38.25 83.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.072 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 m -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.618 0.247 . . . . 0.0 110.877 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.1 t -60.95 -33.0 72.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m -66.7 -49.05 67.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.905 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.4 mt -66.96 -46.24 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.186 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.09 86.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.725 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t -69.22 -32.02 71.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.793 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -75.08 -23.52 58.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 111.043 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mmt -72.67 -45.21 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -68.28 -33.75 74.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.8 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.59 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -76.28 -20.73 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.37 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.21 -38.22 72.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.12 -33.93 74.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.121 0.486 . . . . 0.0 110.902 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.16 -16.77 63.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.352 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 60.4 mm-40 -95.46 -28.88 14.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.611 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -89.05 -63.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.536 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.9 p -95.18 -43.49 8.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.971 0.415 . . . . 0.0 111.123 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.24 7.18 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.28 148.69 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.133 -0.533 . . . . 0.0 109.929 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.3 t -97.61 147.21 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 89.0 m-20 -69.3 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.545 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 6.9 tp60 175.66 -59.08 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 O-C-N 123.439 0.462 . . . . 0.0 111.539 174.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 5.3 Cg_exo -73.87 -26.05 13.71 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.895 1.73 . . . . 0.0 112.61 -171.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 39.5 t80 -53.71 -48.49 69.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 -177.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.19 -36.02 75.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -73.02 -29.33 62.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.129 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 122' ' ' GLN . 37.5 mm-40 -69.69 -35.42 75.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.959 0.409 . . . . 0.0 111.128 177.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.3 mm -65.77 -39.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.598 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.5 p -64.08 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.403 0.62 . . . . 0.0 110.597 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 119' ' ' GLU . 86.2 mt-30 -66.39 -42.51 87.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.707 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.353 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.89 -40.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.786 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 m -69.88 -45.72 67.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.07 -43.79 86.39 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -65.35 -28.22 69.13 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.133 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.03 78.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.783 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.07 -35.43 28.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.43 -49.53 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.003 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 60.33 36.66 91.53 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.011 174.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -81.85 27.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 131' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.316 -0.876 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.25 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.467 ' O ' HG22 ' B' ' 11' ' ' THR . 1.4 p . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.59 -18.14 63.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.281 1.988 . . . . 0.0 112.585 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -117.1 21.58 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.467 HG22 ' O ' ' B' ' 8' ' ' THR . 10.6 t -74.05 -29.14 61.75 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.41 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.426 HD22 HG23 ' B' ' 11' ' ' THR . 11.1 p30 -143.89 152.56 55.73 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.998 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -53.8 -31.61 62.62 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.011 2.474 . . . . 0.0 112.786 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.11 55.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.272 -0.49 . . . . 0.0 112.67 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.16 -32.29 64.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.711 -0.287 . . . . 0.0 110.688 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.57 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.74 -24.38 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.98 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.66 -27.17 66.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.828 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -63.03 -43.47 98.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.055 0.455 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -65.18 -44.51 88.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.894 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.405 ' HA ' ' CD ' ' B' ' 25' ' ' GLN . 22.7 m -68.01 -18.22 64.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 111.139 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' B' ' 27' ' ' LEU . 72.6 t80 -84.28 -55.64 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.416 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.57 -32.0 73.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.668 -176.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.405 ' CD ' ' HA ' ' B' ' 22' ' ' SER . 13.3 pt20 -64.4 -27.01 68.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 110.837 -178.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.22 -32.52 6.68 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.647 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.4 tp -68.23 -29.19 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.367 . . . . 0.0 111.037 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -69.99 -5.96 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -115.65 9.34 15.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.085 0.469 . . . . 0.0 110.481 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.99 141.68 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.0 -14.4 16.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.84 2.36 . . . . 0.0 112.416 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.15 -19.4 63.82 Favored Glycine 0 C--N 1.32 -0.308 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.795 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -126.64 171.22 11.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 111.841 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 23.9 p -114.77 163.48 15.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.318 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.32 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.551 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.4 p -65.98 -48.45 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' B' ' 41' ' ' MET . 28.5 mm-40 -63.87 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.223 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 34' ' ' THR . 89.5 mt -60.98 -35.98 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.68 -39.72 94.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.82 -38.45 58.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.877 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.2 ptp -74.71 -32.96 62.3 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.445 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -58.8 -40.19 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.202 0.525 . . . . 0.0 109.705 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -60.54 -35.12 75.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.543 HD12 HD11 ' B' ' 80' ' ' ILE . 48.6 mt -75.04 -43.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.477 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.96 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.798 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.32 -36.66 68.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 -33.68 75.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.518 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.486 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.6 mmm -73.19 -31.25 64.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.535 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -83.0 -36.68 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.812 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.0 -40.34 96.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.233 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.5 p -64.29 -45.65 87.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -57.89 -45.61 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.558 0.218 . . . . 0.0 110.677 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.39 -42.93 96.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.734 0.302 . . . . 0.0 111.379 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' B' ' 58' ' ' GLN . 47.1 m -63.58 -42.14 98.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 0.0 110.629 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.34 -34.43 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.52 92.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 54' ' ' SER . 96.0 mt-30 -82.1 -7.75 59.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 23.7 77.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.257 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -102.77 13.32 34.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.519 0.676 . . . . 0.0 109.851 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -91.67 134.95 34.25 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.945 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.499 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 12.8 m -144.25 162.89 37.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 11.5 Cg_endo -51.05 -47.69 24.53 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.78 2.32 . . . . 0.0 112.083 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.09 -20.98 37.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.371 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 0.0 OUTLIER -76.6 -37.03 57.12 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.242 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.8 -45.59 89.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.635 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' B' ' 69' ' ' LEU . . . -75.3 70.42 2.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 68' ' ' ALA . 9.9 mt 176.22 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.748 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -60.49 -43.08 97.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.484 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mmm -78.9 -32.96 45.97 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.879 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.34 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.222 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.486 ' N ' ' HE2' ' B' ' 48' ' ' MET . 49.1 t80 -65.02 -53.64 42.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.933 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.2 -36.91 73.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.473 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -77.67 -32.04 52.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 5.7 t -70.43 -33.06 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.478 0.656 . . . . 0.0 110.073 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.478 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 17.0 mmt -73.9 -25.44 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.098 0.475 . . . . 0.0 109.819 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.02 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.85 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.2 pt-20 -65.14 -33.03 75.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.59 0.233 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.543 HD11 HD12 ' B' ' 44' ' ' ILE . 16.6 mt -72.72 -48.58 45.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.156 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.53 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.554 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.81 -11.78 56.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.4 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -88.64 -69.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.039 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -112.52 170.87 7.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.415 0.626 . . . . 0.0 112.368 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.523 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 10.1 pt-20 -163.25 -160.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.272 176.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.73 -64.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.5 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.71 -20.32 60.04 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -132.27 156.89 22.24 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 114.628 -0.786 . . . . 0.0 111.622 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -91.1 -176.63 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 0.8 OUTLIER -56.37 -45.81 80.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.072 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -66.98 -38.89 86.88 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.229 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -64.44 -50.3 68.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.37 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.523 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 17.4 ptpt -62.48 -35.5 79.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.775 -177.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 38.1 m -64.28 -47.45 79.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 46.2 t -62.14 -38.2 88.06 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 60.9 m -60.57 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.91 -45.25 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.583 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.6 79.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.555 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -65.35 -39.59 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.87 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.119 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -62.16 -42.58 99.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.296 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -61.38 -36.68 80.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.562 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.3 t30 -72.54 -40.58 66.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.912 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.07 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.781 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.596 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 51.3 m-85 -66.96 -33.82 76.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.78 -23.29 60.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 28.3 mm-40 -77.91 -48.54 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.161 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -72.84 -73.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.346 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' THR . . . . . 0.401 HG23 ' H ' ' B' ' 111' ' ' VAL . 2.8 t -92.65 -40.08 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.373 -175.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.87 12.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.878 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.2 p -149.35 151.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.404 HG12 ' H ' ' B' ' 114' ' ' GLN . 43.1 t -101.73 134.12 43.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 3.5 m-20 -61.76 -36.98 82.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.429 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.8 tt0 97.35 -73.39 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.106 1.363 . . . . 0.0 113.088 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 31.5 Cg_exo -59.9 -29.41 89.39 Favored 'Trans proline' 0 C--N 1.367 1.537 0 CA-C-N 121.986 1.745 . . . . 0.0 112.33 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.6 ' O ' HG12 ' B' ' 120' ' ' ILE . 44.5 t80 -52.79 -46.97 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.937 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.54 -38.62 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -74.01 -20.53 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.449 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -79.48 -31.9 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.872 0.367 . . . . 0.0 110.275 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -66.54 -38.95 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 46.5 p -63.01 -26.49 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.334 0.588 . . . . 0.0 110.732 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -78.41 -41.49 32.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.248 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.5 mt -56.68 -47.81 79.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.403 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.25 -30.69 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.073 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -84.56 -35.88 22.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.558 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 25.5 ptm -65.28 -52.5 53.86 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.214 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.43 -20.29 66.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.9 -20.31 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' B' ' 126' ' ' MET . 23.5 mt-30 -89.06 -34.63 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.418 . . . . 0.0 109.929 177.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -60.0 4.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.942 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.4 57.95 16.16 Favored Glycine 0 C--N 1.333 0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.862 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' MET . . . . . 0.444 ' HE2' ' HB2' ' B' ' 132' ' ' MET . 0.0 OUTLIER -80.35 17.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.401 0.619 . . . . 0.0 110.832 -175.487 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.347 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.457 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 36.5 Cg_exo -62.39 -15.19 43.55 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.307 2.004 . . . . 0.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -122.3 20.43 10.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.573 -175.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.457 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 12.5 t -75.88 -17.37 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.628 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.423 HD22 HG23 ' A' ' 11' ' ' THR . 11.4 p30 -151.96 154.88 33.22 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -80.48 18.29 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.332 2.688 . . . . 0.0 113.077 -174.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.19 -0.31 10.52 Favored Glycine 0 CA--C 1.503 -0.681 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -124.57 -31.94 3.18 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.648 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -59.93 -33.24 71.62 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.93 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.13 -18.86 62.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.232 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.42 -22.11 52.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.55 -57.31 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 111.121 -176.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -68.43 -49.19 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.491 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 42.7 m -64.37 -19.38 65.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.626 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 38.4 t80 -76.28 -63.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.243 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 10.4 ptm -80.26 -15.02 57.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -168.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 13.8 pt20 -60.42 -33.29 72.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.0 110.086 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.97 -18.48 43.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.522 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD23 ' SD ' ' A' ' 41' ' ' MET . 31.9 tp -73.09 -28.12 62.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.937 0.398 . . . . 0.0 110.657 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -71.66 5.34 2.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.784 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -120.07 7.11 10.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.036 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.5 mmt -93.77 139.51 22.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.913 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.69 -18.85 32.35 Favored 'Trans proline' 0 N--CA 1.472 0.26 0 C-N-CA 123.014 2.476 . . . . 0.0 113.03 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.19 96.8 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.671 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.66 163.38 12.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 0.0 111.456 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 71.5 p -110.58 166.15 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.975 176.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.26 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 111.519 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -70.66 -33.56 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 10.8 mm100 -89.3 6.43 40.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.531 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 34' ' ' THR . 4.6 mm? -105.44 5.44 31.63 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.917 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.57 -43.36 10.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.112 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.643 ' HA ' ' CD ' ' B' ' 65' ' ' LYS . 0.8 OUTLIER -67.7 -50.19 58.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.693 ' SD ' HD23 ' A' ' 27' ' ' LEU . 43.6 ttm -59.94 -39.68 86.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.214 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 23.6 p -66.08 -35.98 81.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.2 m -61.64 -36.6 81.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.497 HD13 ' OG ' ' A' ' 76' ' ' SER . 59.0 mt -74.15 -37.03 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.821 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.16 81.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.424 HE22 HD21 ' B' ' 55' ' ' LEU . 0.9 OUTLIER -90.59 -9.84 45.57 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 68.5 p -84.13 -39.65 19.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.105 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -64.86 -33.21 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.93 -34.83 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.307 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.68 -36.29 83.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 m -59.84 -55.73 30.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.946 174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 68.2 mt -55.91 -52.57 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.926 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -65.19 -36.12 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.408 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.1 m -71.65 -40.66 69.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 51' ' ' SER . 90.8 mt -62.84 -35.95 81.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.706 0.288 . . . . 0.0 110.361 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HA ' ' OG1' ' A' ' 61' ' ' THR . . . -65.76 -48.04 73.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.743 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.13 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 99.5 mt-30 -88.4 0.88 55.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.603 -177.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 41.79 55.25 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 114.525 0.57 . . . . 0.0 114.525 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.494 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.25 18.61 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.35 0.575 . . . . 0.0 111.037 176.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -88.69 139.56 30.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.943 0.401 . . . . 0.0 111.765 178.777 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.498 ' OG ' ' HE2' ' A' ' 65' ' ' LYS . 36.3 p -150.82 152.04 31.23 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.47 -38.1 43.24 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.327 2.684 . . . . 0.0 113.592 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -73.21 -40.4 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HE2' ' OG ' ' A' ' 62' ' ' SER . 53.4 mtmt -78.52 -24.17 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.42 -33.58 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.497 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.2 tt0 -69.26 -39.86 78.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.231 176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.628 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . . . -57.28 -36.01 70.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.379 0.609 . . . . 0.0 110.647 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -74.8 -1.66 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.6 m-20 -86.4 -50.46 6.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.561 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 86.6 mmm -70.55 -37.4 74.02 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.994 0.426 . . . . 0.0 110.268 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 77' ' ' MET . 82.5 t80 -71.8 -47.24 54.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.298 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.56 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.416 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.402 . . . . 0.0 110.247 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.544 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 12.3 t -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.724 0.774 . . . . 0.0 110.048 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' ' HG3' ' A' ' 41' ' ' MET . 20.7 mmt -73.99 -30.36 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.947 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.79 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.802 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.544 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 14.1 pt-20 -64.0 -37.63 88.14 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.628 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 44' ' ' ILE . 11.3 mt -65.27 -52.4 52.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.432 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.39 77.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.77 82.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.325 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -66.78 -60.89 2.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.899 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.99 159.73 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.357 0.598 . . . . 0.0 112.1 -171.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -160.05 -164.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.695 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -34.2 0.74 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.996 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.76 -41.27 5.71 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.53 167.33 23.57 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.724 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -81.5 -177.69 6.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.469 0.176 . . . . 0.0 110.555 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 65.6 tp -50.97 -40.69 58.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.115 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -45.06 93.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.419 0.628 . . . . 0.0 110.454 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -68.95 -51.23 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.628 -174.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 60.6 pttt -66.7 -31.31 71.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.757 0.313 . . . . 0.0 111.404 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -72.16 -43.6 64.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.368 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.4 t -65.44 -34.24 77.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.524 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.9 m -57.71 -44.17 85.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.626 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.19 -50.48 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.53 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.8 t -65.25 -44.28 88.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.65 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.387 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.2 mmt -61.45 -42.82 99.36 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.475 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.517 ' HA ' HG21 ' A' ' 112' ' ' VAL . 22.9 m -63.52 -34.22 77.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.319 0.581 . . . . 0.0 110.07 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.579 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.7 t30 -67.83 -44.67 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.807 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.36 68.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 34.8 m-85 -66.09 -37.08 84.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.386 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.2 mt -70.01 -22.94 63.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.741 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.6 mm-40 -82.76 -37.89 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -62.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.792 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.9 p -101.06 -44.56 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.781 0.325 . . . . 0.0 111.597 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.98 4.11 19.08 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.3 p -142.27 147.41 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 102' ' ' SER . 2.6 p -121.37 133.48 67.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.902 0.382 . . . . 0.0 111.35 -175.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.27 117.55 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.855 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.44 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 59.4 tt0 -65.1 -55.59 25.72 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.3 Cg_endo -56.01 -34.54 92.6 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.178 1.918 . . . . 0.0 112.731 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 63.4 t80 -53.5 -48.77 68.68 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.769 176.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.28 -32.22 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.926 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -70.81 -45.63 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.749 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.3 mm -59.12 -37.66 69.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.599 -177.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.6 p -65.64 -23.32 66.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 111.318 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.7 -35.56 62.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.425 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.74 -48.14 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.105 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.67 -33.0 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.79 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.8 t -71.86 -44.76 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.248 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.4 ptm -70.1 -40.28 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -66.6 -20.7 66.07 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.466 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -82.1 -22.28 36.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.993 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -62.15 -53.03 61.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.175 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.79 29.62 61.83 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.397 -0.819 . . . . 0.0 113.87 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -78.93 6.04 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.874 0.845 . . . . 0.0 110.755 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.246 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.739 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 11' ' ' THR . 7.9 p . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.22 -6.25 14.32 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.294 1.996 . . . . 0.0 112.667 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 17.5 p90 -128.77 12.62 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.517 HG22 ' O ' ' B' ' 8' ' ' THR . 9.3 t -77.15 -16.07 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.575 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.445 HD22 HG23 ' B' ' 11' ' ' THR . 10.2 p30 -149.58 150.66 31.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.616 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 51.5 Cg_exo -55.78 -33.57 88.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.921 2.414 . . . . 0.0 112.671 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.79 -54.65 35.65 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.887 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.78 -34.8 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.547 -0.384 . . . . 0.0 110.773 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.93 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 11.1 pt-20 -71.88 -40.15 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.706 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.25 -32.88 74.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.478 0.18 . . . . 0.0 111.141 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.425 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 21.6 ptp -78.64 -26.53 45.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.327 -175.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -66.03 -48.36 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.183 0.516 . . . . 0.0 110.191 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 15.7 m -74.34 -10.74 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.979 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.58 -53.46 10.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.339 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' B' ' 42' ' ' SER . 25.7 mtp -71.65 -23.3 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.857 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 22' ' ' SER . 8.2 pt20 -62.06 -33.4 74.33 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.6 -26.12 21.18 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.518 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.04 -33.85 75.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.372 . . . . 0.0 110.33 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -67.0 -6.58 17.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -111.26 11.29 21.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.977 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -101.15 135.22 19.96 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.15 -22.18 35.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 123.279 2.653 . . . . 0.0 113.561 -175.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.47 -21.34 77.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.772 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -105.9 159.52 15.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.315 0.579 . . . . 0.0 112.121 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 60.7 p -117.32 167.14 11.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.834 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.06 69.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -61.01 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.465 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' B' ' 41' ' ' MET . 63.7 mm-40 -70.4 -30.81 67.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.173 0.511 . . . . 0.0 110.85 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.54 11.23 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.983 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.15 -42.13 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.816 172.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -80.56 -54.5 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.052 -175.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 12.4 ptm -67.77 -24.39 65.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -174.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.422 ' HA ' ' SD ' ' B' ' 24' ' ' MET . 12.9 m -65.11 -22.75 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 52.4 m -71.67 -37.03 70.83 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.688 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.546 HD12 HD11 ' B' ' 80' ' ' ILE . 36.8 mt -77.06 -32.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.7 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 0.0 110.777 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.7 pt20 -77.98 -22.63 49.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.036 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 28.0 t -64.14 -43.65 94.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' ILE . 72.6 mmm -64.85 -45.97 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.716 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' B' ' 46' ' ' GLN . 5.2 m -64.35 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -67.73 -29.28 68.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.83 0.348 . . . . 0.0 110.74 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 22.2 m -75.58 -45.79 35.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 48' ' ' MET . 82.1 mt -61.19 -50.14 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.297 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 14.3 pt20 -61.71 -38.13 86.74 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.623 0.249 . . . . 0.0 111.253 -177.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -66.9 -37.45 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 51' ' ' SER . 67.5 mt -66.77 -36.58 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.52 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.73 87.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.12 74.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.158 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -87.28 2.43 50.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.358 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.19 42.64 99.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.912 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -104.21 -6.86 20.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.403 . . . . 0.0 109.978 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 18.6 p -87.46 166.25 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.585 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.524 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 81.5 p -169.01 162.22 7.86 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 13.6 Cg_endo -51.51 -40.7 62.88 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.204 2.603 . . . . 0.0 112.936 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -87.92 -21.31 25.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.099 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.643 ' CD ' ' HA ' ' A' ' 40' ' ' ASP . 51.8 mtmt -92.02 -15.88 27.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.323 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -77.31 -35.18 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.827 0.346 . . . . 0.0 110.787 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.74 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.477 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -68.49 -8.44 41.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.024 0.44 . . . . 0.0 111.739 -176.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -102.02 12.92 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -92.18 -54.2 3.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' MET . . . . . 0.528 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 94.8 mmm -69.41 -36.68 76.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.949 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.7 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.427 0.454 . . . . 0.0 110.765 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -69.13 -51.92 33.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.553 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.01 72.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.635 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 31.5 t -75.79 -38.82 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' B' ' 79' ' ' GLU . 12.2 t -68.12 -31.26 70.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.218 0.532 . . . . 0.0 110.163 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 30.5 mmt -66.67 -39.91 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.289 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.34 86.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.992 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.628 ' OE2' ' HA ' ' A' ' 68' ' ' ALA . 31.2 tt0 -53.99 -59.49 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.855 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.546 HD11 HD12 ' B' ' 44' ' ' ILE . 16.9 mt -59.39 -42.42 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.54 92.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.426 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' B' ' 90' ' ' LEU . . . -81.32 -23.59 37.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.425 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.15 -44.26 96.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.848 0.356 . . . . 0.0 111.647 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.39 159.54 35.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.96 -153.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.65 -155.08 6.53 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.219 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.08 -12.21 71.41 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.79 -112.51 3.71 Favored Glycine 0 N--CA 1.438 -1.222 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.681 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -131.51 150.78 52.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.596 0.236 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' B' ' 82' ' ' ALA . 58.5 tp -58.66 -42.29 88.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -63.62 -22.68 67.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.459 -178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.3 m -70.47 -28.67 65.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.18 -36.24 81.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -55.73 -49.58 72.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.046 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 35.6 t -68.44 -36.13 78.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.53 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 52.0 m -59.98 -50.03 75.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.63 -48.4 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -44.36 78.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 111.146 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 58.6 m -62.89 -49.17 75.88 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.282 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.49 65.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.804 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.9 mmt -64.01 -45.03 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.16 0.505 . . . . 0.0 109.791 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.7 m -61.1 -38.61 86.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.987 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.3 t30 -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.773 176.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.05 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.464 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.3 m-85 -64.67 -37.09 86.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.031 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -22.57 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 70.2 mm-40 -83.87 -18.76 36.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -107.99 -70.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -88.42 -47.77 8.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.264 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.07 10.59 17.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.452 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.9 p -143.77 146.39 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.06 124.48 59.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.944 0.402 . . . . 0.0 111.245 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -85.07 97.98 10.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.37 -42.74 97.52 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.69 -38.24 36.54 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.942 1.761 . . . . 0.0 112.506 174.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.581 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.2 t80 -66.45 -53.39 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.044 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.02 -42.0 84.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.473 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -62.95 -39.99 96.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.559 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 17.6 mm-40 -73.4 -28.1 61.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.605 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 116' ' ' PHE . 48.4 mm -61.79 -38.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 75.2 p -60.25 -41.62 93.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.12 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -66.35 -35.9 81.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.517 ' O ' ' HG2' ' B' ' 126' ' ' MET . 93.9 mt -57.85 -46.45 84.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.96 -42.54 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.025 0.44 . . . . 0.0 110.474 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 15.9 p -87.57 14.0 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.1 ptm -116.48 -39.62 3.33 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.223 176.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.0 -23.55 65.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.088 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.27 76.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.406 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.1 mp0 -75.08 -24.76 58.21 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.206 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.88 -50.29 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.069 0.461 . . . . 0.0 109.938 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.07 2.1 61.28 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.894 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.6 -2.41 19.83 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.357 0.579 . . . . 0.0 111.864 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.497 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 12.1 p30 . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.992 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.558 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 22.7 Cg_exo -65.83 -7.06 15.54 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.397 2.065 . . . . 0.0 112.587 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 19.6 p90 -134.47 24.3 3.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.594 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.582 HG23 ' OD1' ' A' ' 12' ' ' ASN . 7.4 t -71.9 -38.08 70.0 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.617 0.246 . . . . 0.0 111.585 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.582 ' OD1' HG23 ' A' ' 11' ' ' THR . 2.1 p-10 -157.14 161.49 29.34 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 12' ' ' ASN . 51.3 Cg_endo -68.15 37.99 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.375 2.717 . . . . 0.0 113.452 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.02 2.19 6.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 175.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.74 -34.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.865 -0.667 . . . . 0.0 110.298 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -57.0 -37.31 71.48 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.069 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.65 22.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.336 0.589 . . . . 0.0 110.956 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.6 -22.49 65.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.306 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.41 -51.0 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.549 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' MET . 2.0 mpt? -60.94 -46.16 91.79 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.448 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 41.7 m-80 -57.57 -48.51 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.09 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.56 -44.91 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 84.2 t80 -58.88 -48.96 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.267 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 20' ' ' MET . 75.8 mmm -60.01 -37.89 81.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 93.1 mt-30 -66.27 -42.48 88.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.52 73.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.294 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 tp -68.92 -29.45 67.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.673 0.273 . . . . 0.0 111.317 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -69.02 -6.48 28.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.756 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -110.83 13.97 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.885 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.45 146.1 31.43 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.14 -20.15 11.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.23 2.62 . . . . 0.0 113.467 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 -3.49 88.7 Favored Glycine 0 C--N 1.319 -0.366 0 C-N-CA 121.039 -0.601 . . . . 0.0 114.53 -171.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 27' ' ' LEU . 33.0 m-85 -119.4 168.58 10.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.772 0.786 . . . . 0.0 112.725 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 38' ' ' LEU . 80.9 p -110.77 -174.26 2.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.418 -177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.36 -18.2 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.3 p -88.16 -48.73 7.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.552 -176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.7 mp0 -57.26 -34.95 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.097 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 34' ' ' THR . 2.0 mm? -62.16 -32.5 73.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.237 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.71 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.521 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -56.35 -50.12 72.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 7.5 ptp -73.98 -35.89 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.378 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -60.64 -36.18 78.0 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.358 0.599 . . . . 0.0 109.472 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 m -65.16 -47.11 78.17 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.632 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.52 HD12 HD11 ' A' ' 80' ' ' ILE . 50.3 mt -62.81 -38.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.848 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.43 2.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.67 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -60.12 -39.1 85.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.921 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.451 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 22.5 m -59.46 -41.69 90.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.945 0.402 . . . . 0.0 110.721 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' HG13 ' A' ' 52' ' ' ILE . 71.5 mmm -72.78 -45.8 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.758 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.98 -51.25 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.555 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.66 -40.94 96.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.67 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.3 m -61.54 -42.15 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.503 0.192 . . . . 0.0 110.791 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 48' ' ' MET . 63.0 mt -57.05 -48.55 81.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.964 0.412 . . . . 0.0 110.867 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -68.79 -29.04 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m -71.17 -33.31 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.337 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 51' ' ' SER . 73.7 mt -68.13 -33.55 74.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.107 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.54 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.035 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.26 -21.44 62.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -100.76 -13.91 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.62 36.88 11.2 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.876 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -115.46 11.92 16.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 176.057 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.75 126.88 31.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.323 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 m -152.77 154.23 31.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.8 Cg_endo -49.7 -54.29 5.69 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.107 2.538 . . . . 0.0 112.935 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.42 -39.14 92.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.556 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -63.13 -45.35 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.264 0.554 . . . . 0.0 110.445 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.05 -35.51 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.14 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -58.61 -42.12 87.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.95 86.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.998 0.428 . . . . 0.0 110.393 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 mt -68.55 -32.42 72.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -48.14 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.73 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.931 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -51.65 -39.83 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.742 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -70.3 -45.17 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.39 -37.83 87.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.242 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -71.52 -39.72 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.348 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 5.5 p -69.71 -30.5 68.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.441 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -64.64 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -44.65 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.204 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 72.1 tt0 -55.02 -56.91 14.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.067 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 HD12 ' A' ' 44' ' ' ILE . 40.1 mt -56.11 -45.94 80.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.84 70.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.202 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.304 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -68.4 -79.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.37 163.83 12.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -161.32 165.8 28.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.053 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.03 -86.66 0.1 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.36 17.09 59.04 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.69 118.96 2.74 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 10.3 m -72.75 173.0 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 5.7 tt -50.72 -46.99 59.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -62.85 -43.93 97.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -64.12 -52.31 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.427 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.5 pttt -67.69 -32.29 72.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.3 m -68.22 -46.38 70.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 0.0 110.701 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 m -65.81 -32.14 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -61.08 -43.44 98.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.765 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.2 -45.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.607 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.0 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.215 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -79.06 -23.45 44.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.055 0.455 . . . . 0.0 110.806 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.453 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 24.4 mmt -75.15 -47.65 27.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.283 176.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -63.83 -38.31 90.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.626 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.571 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.8 OUTLIER -76.7 -21.8 54.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.397 -178.084 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.45 -38.32 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.994 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.6 m-85 -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 110.856 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.38 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.144 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.4 mm-40 -84.63 -43.33 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.862 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -78.94 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 111.744 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.3 p -95.5 -45.99 6.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.981 0.419 . . . . 0.0 111.114 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.61 1.69 27.49 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.4 p -138.84 148.32 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.1 125.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.097 0.475 . . . . 0.0 110.91 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.42 108.72 15.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.592 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.3 tt0 -61.65 -41.24 76.94 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 87.8 Cg_exo -44.05 -41.66 12.59 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.471 2.114 . . . . 0.0 113.011 174.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 120' ' ' ILE . 87.6 t80 -63.65 -46.29 86.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.46 -33.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.832 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.63 -27.93 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.766 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -86.19 -30.89 22.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.0 mm -59.13 -39.38 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.226 -178.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.4 p -63.99 -34.43 77.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.65 -27.77 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.958 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.72 -50.61 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.529 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.3 t -62.03 -35.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.41 0.624 . . . . 0.0 110.021 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -69.56 -45.62 68.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.518 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.96 -38.62 83.0 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.28 -19.27 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.648 0.261 . . . . 0.0 111.377 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.85 94.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.275 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -78.51 -26.55 45.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.724 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.68 -58.19 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.486 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.96 70.2 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 113.085 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -78.71 7.55 6.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 111.072 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.19 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.89 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.22 -25.11 57.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.122 1.881 . . . . 0.0 111.912 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' TRP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 16' ' ' ALA . 15.3 p90 -97.1 17.51 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.544 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.41 HG23 HD22 ' B' ' 12' ' ' ASN . 14.9 t -72.41 -16.7 61.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASN . . . . . 0.41 HD22 HG23 ' B' ' 11' ' ' THR . 11.0 p30 -151.84 148.6 21.99 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.62 48.67 2.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.403 2.735 . . . . 0.0 112.878 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.54 -41.2 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -76.21 -37.71 57.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.683 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' B' ' 10' ' ' TRP . . . -53.88 -41.6 67.72 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -174.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -13.47 61.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -72.04 -22.18 61.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 110.416 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -63.36 -50.07 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.545 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 20' ' ' MET . 1.9 mpt? -58.83 -45.45 89.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.531 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 52.8 m-80 -61.61 -50.97 70.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -62.08 -38.95 90.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.931 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.66 -49.81 75.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.7 mt-30 -63.71 -46.81 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.478 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.12 -39.17 63.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' B' ' 33' ' ' PHE . 28.9 tp -66.94 -31.32 71.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.804 0.335 . . . . 0.0 111.249 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -5.17 37.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 110.826 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -105.79 14.87 27.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.323 0.582 . . . . 0.0 109.685 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.2 mmt -102.73 144.33 28.4 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.743 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -23.49 24.23 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.013 2.475 . . . . 0.0 112.889 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLY . . . . . 0.487 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -66.43 -32.23 81.18 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.374 -176.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' B' ' 27' ' ' LEU . 74.8 m-85 -107.9 138.03 44.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 0.0 111.497 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.54 HG23 ' HA3' ' B' ' 86' ' ' GLY . 6.5 p -87.77 159.15 18.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.854 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -12.75 14.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.8 p -105.47 -16.37 14.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.43 0.633 . . . . 0.0 109.814 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.414 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 24.0 tp60 -77.83 -29.17 50.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.084 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.77 -23.74 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.711 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.08 -39.19 88.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.25 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -72.39 -37.32 68.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.448 ' HB2' ' CE ' ' B' ' 77' ' ' MET . 6.7 ptm -87.7 -21.44 25.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.4 t -65.38 -28.89 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.0 m -59.05 -45.25 91.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.427 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mt -71.94 -33.26 47.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.684 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.28 -55.93 15.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.36 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -63.6 -34.36 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.194 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 36.7 m -61.62 -42.56 99.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.882 0.372 . . . . 0.0 110.635 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.3 mmm -73.56 -38.25 65.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.3 t -59.06 -57.09 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.772 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.99 -30.92 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.465 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 32.2 t -60.15 -45.38 93.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.048 0.451 . . . . 0.0 110.176 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.89 -43.03 98.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.641 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 4.5 mm100 -62.29 -39.13 91.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.618 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -66.94 -36.73 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.963 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.14 -36.21 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.976 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.78 81.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.54 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.44 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -82.03 -14.96 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 49.45 5.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.617 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 73.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -116.03 131.75 56.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' B' ' 65' ' ' LYS . 11.5 m -154.83 154.99 29.92 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.73 -45.77 34.36 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.83 2.353 . . . . 0.0 111.972 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -81.0 0.95 33.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.349 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 7.0 tppt? -98.7 -40.17 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.47 -25.76 45.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.053 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.3 tt0 -58.07 -44.6 87.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.807 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.27 -3.43 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' B' ' 10' ' ' TRP . 1.0 OUTLIER -90.91 -48.93 6.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.548 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.29 -40.76 90.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.07 -43.72 78.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.784 0.326 . . . . 0.0 110.659 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' B' ' 48' ' ' MET . 58.8 t80 -64.56 -46.89 80.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.287 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.37 -35.7 78.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -69.87 -41.63 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.235 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.686 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 74.6 p -73.54 -3.8 30.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.613 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.7 mmt -103.03 -6.84 21.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.89 -52.02 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.795 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -70.82 -32.28 69.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.96 -175.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mt -58.36 -47.46 87.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' B' ' 97' ' ' ILE . . . -75.34 -38.61 60.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.391 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.82 63.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -79.22 -62.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -79.14 148.82 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.004 0.43 . . . . 0.0 111.726 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -158.96 157.86 32.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.057 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLY . . . . . 0.54 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -127.17 -87.94 0.62 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.509 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.85 -19.27 44.24 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.338 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLY . . . . . 0.487 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -108.57 151.1 17.08 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.2 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 16.2 m -92.64 -172.88 3.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.477 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.9 tp -57.64 -35.76 70.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.781 0.325 . . . . 0.0 110.99 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p -80.4 -2.8 47.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -107.42 -53.31 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.113 0.482 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 50.5 pttt -65.48 -30.67 71.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.753 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 35.8 m -64.94 -45.32 86.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.776 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -67.47 -30.73 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 0.0 110.284 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.597 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' B' ' 81' ' ' ALA . 62.8 mt -65.91 -43.01 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.66 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.67 -48.46 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -67.79 -42.57 81.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ALA . . . . . 0.532 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -63.47 -33.74 76.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.025 0.44 . . . . 0.0 111.164 -179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.86 -46.43 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.436 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.4 p -67.33 -32.53 73.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.046 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 0.9 OUTLIER -81.17 -23.21 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.301 -178.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.23 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.5 m-85 -63.95 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.49 -10.69 59.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 65.3 mm-40 -96.51 -19.81 18.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.334 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.88 -70.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.6 p -92.82 -34.13 13.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.168 0.508 . . . . 0.0 111.058 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 5.38 49.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.6 p -136.91 147.59 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.899 -0.65 . . . . 0.0 109.45 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.93 125.72 73.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.224 0.535 . . . . 0.0 110.839 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.84 120.96 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.814 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 62.8 tt0 -58.87 -50.29 88.79 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.04 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 52.6 Cg_endo -68.98 15.95 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.473 2.115 . . . . 0.0 113.51 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' PHE . . . . . 0.623 ' O ' HG12 ' B' ' 120' ' ' ILE . 42.7 t80 -106.96 -52.39 2.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 169.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.48 -36.42 77.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.053 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.459 ' OD1' ' HA ' ' B' ' 115' ' ' PRO . 33.5 p-10 -67.34 -31.9 72.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.21 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.41 -32.5 42.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.745 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.2 mm -62.45 -43.5 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.191 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -63.67 -33.94 76.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.499 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -72.06 -32.28 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.706 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.47 -50.46 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.404 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 120' ' ' ILE . 39.4 t -57.61 -41.77 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 4.1 p -73.86 -37.19 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.024 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -72.68 -31.59 65.17 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -73.17 0.27 12.2 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 120.688 0.28 . . . . 0.0 111.458 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.01 -41.81 25.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.212 0.529 . . . . 0.0 110.056 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -77.36 -15.59 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.12 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.55 81.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.89 -26.07 4.99 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.554 173.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -77.03 -5.63 49.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.499 0.666 . . . . 0.0 111.261 -176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' ASN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.067 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -94.47 179.11 5.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.739 0.269 . . . . 0.0 110.773 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.12 174.3 54.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.693 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 69.87 82.36 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.2 0.6 . . . . 0.0 110.76 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -97.42 160.58 14.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.079 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -105.68 179.99 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.972 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -60.89 141.82 56.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.391 0.615 . . . . 0.0 110.956 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 11' ' ' THR . 1.7 p -153.08 158.07 32.91 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.578 -177.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HG3' ' CE1' ' A' ' 105' ' ' PHE . 57.4 Cg_endo -71.63 0.44 6.96 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.23 1.954 . . . . 0.0 112.623 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -130.12 18.45 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.435 HG23 HD22 ' A' ' 12' ' ' ASN . 13.9 t -76.87 -15.21 59.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.435 HD22 HG23 ' A' ' 11' ' ' THR . 12.1 p30 -153.35 152.4 27.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.5 Cg_exo -53.09 -36.01 74.84 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.921 2.414 . . . . 0.0 112.883 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.34 -56.56 23.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.55 -30.49 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.532 -0.393 . . . . 0.0 110.76 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.11 90.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 9.8 pt-20 -75.62 -28.74 58.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.6 -22.32 60.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.032 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -55.62 -55.64 29.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.391 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -27.42 60.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.327 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -67.68 -47.11 70.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -78.45 -9.51 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.068 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -85.52 -50.97 6.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.05 -35.43 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.67 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -64.57 -29.98 71.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.14 -37.85 6.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.878 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.44 -26.78 67.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -66.52 -12.09 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -112.98 16.33 19.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.905 0.383 . . . . 0.0 110.434 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -94.03 139.61 22.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.566 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.94 -27.84 25.12 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.095 2.53 . . . . 0.0 113.512 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.17 -1.19 87.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.675 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.55 154.14 32.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.692 0.758 . . . . 0.0 112.738 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 21.4 p -115.82 162.76 16.84 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.542 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.68 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -55.47 -47.27 76.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.538 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.644 ' O ' ' HG2' ' A' ' 41' ' ' MET . 49.3 mt-30 -67.54 -46.17 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 34' ' ' THR . 96.5 mt -57.63 -38.76 75.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.84 -175.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.86 -43.34 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.263 0.554 . . . . 0.0 110.899 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 3.5 t70 -69.47 -45.45 68.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.751 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.644 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 8.3 ptp -74.58 -30.06 61.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 p -66.96 -28.88 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 109.525 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.9 m -64.56 -44.94 89.16 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.957 174.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 80' ' ' ILE . 48.5 mt -68.47 -33.81 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.686 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.33 -49.76 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HA ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -74.95 -17.83 60.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.844 0.354 . . . . 0.0 111.279 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 51.0 m -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.906 0.384 . . . . 0.0 110.433 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 52' ' ' ILE . 95.1 mmm -68.23 -45.8 72.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.761 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 46' ' ' GLN . 22.0 m -65.22 -37.77 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.75 0.309 . . . . 0.0 110.833 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -67.0 -30.3 70.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.574 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.6 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 47.2 t -69.47 -43.05 74.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 0.0 110.146 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 48' ' ' MET . 80.4 mt -62.84 -51.01 77.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.0 pt20 -63.73 -31.29 72.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.19 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 66.2 m -63.52 -45.3 91.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.116 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.1 -36.36 83.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.23 86.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.78 73.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.631 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 54' ' ' SER . 94.7 mt-30 -78.99 -20.46 49.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.04 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.12 30.14 43.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.164 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -109.66 6.64 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.051 0.453 . . . . 0.0 110.488 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.68 123.54 25.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.25 0.547 . . . . 0.0 111.863 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -144.77 155.34 56.17 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.46 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.21 -33.03 62.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.175 2.583 . . . . 0.0 113.195 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.9 -54.64 31.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.582 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD3' HG21 ' B' ' 43' ' ' THR . 55.0 mttm -65.45 -36.8 84.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.901 -177.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.395 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.614 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -67.71 -42.95 81.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 176.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.81 93.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.764 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.23 -31.22 69.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -45.5 93.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.6 mmm -70.78 -39.17 73.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.754 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -54.47 -39.49 67.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 77' ' ' MET . 84.4 t80 -71.54 -46.67 58.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 177.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.63 78.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.014 0.435 . . . . 0.0 111.272 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -73.95 -39.85 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.065 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.466 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 7.7 p -69.72 -36.43 75.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.788 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.5 mmt -64.2 -40.58 96.37 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.5 93.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.192 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 75.0 tt0 -55.07 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.283 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.51 HD11 HD12 ' A' ' 44' ' ' ILE . 37.1 mt -49.21 -45.55 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 O-C-N 123.519 0.512 . . . . 0.0 111.58 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -46.29 63.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.022 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 127' ' ' PHE . . . -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.024 -177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 44.9 m -55.28 -68.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.253 0.346 . . . . 0.0 110.711 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 83' ' ' SER . 12.6 mt-10 -167.55 133.31 2.04 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.778 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -91.36 -32.46 15.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.394 1.092 . . . . 0.0 110.478 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 -52.16 3.71 Favored Glycine 0 C--N 1.294 -1.786 0 CA-C-N 113.382 -1.735 . . . . 0.0 112.435 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.11 51.75 0.85 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.173 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.31 -134.44 2.17 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.237 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 48.0 t -155.81 151.45 27.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 46.1 tp -54.83 -42.25 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.554 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 p -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.423 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -58.91 -42.53 89.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.946 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 90' ' ' LEU . 19.2 pttp -68.32 -36.63 79.58 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -65.14 -42.48 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 110.474 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.7 t -65.32 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.286 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.846 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.1 -45.7 95.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.861 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -47.59 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 111.23 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -66.43 -38.9 88.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.52 -32.57 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.415 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 21.7 mmt -63.43 -50.25 70.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.987 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -56.92 -35.59 69.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.401 0.62 . . . . 0.0 109.797 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.3 t30 -63.05 -45.5 91.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.138 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.46 89.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.497 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.458 ' CE1' ' HG3' ' A' ' 9' ' ' PRO . 72.9 m-85 -65.17 -34.73 79.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.91 -15.49 58.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.4 mm-40 -88.36 -30.35 19.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -82.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.9 t -84.46 -33.05 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.26 13.85 25.68 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.624 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -149.44 151.0 13.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 114' ' ' GLN . 21.6 t -107.47 136.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 19.2 m120 -63.6 -36.54 84.14 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.928 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.584 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 7.3 tp60 103.77 -64.67 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.253 1.421 . . . . 0.0 113.092 175.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 17.3 Cg_exo -66.95 -22.98 47.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 121.351 1.518 . . . . 0.0 111.83 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 120' ' ' ILE . 30.6 t80 -53.21 -52.19 59.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.37 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.3 mm -60.9 -38.91 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.675 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -63.97 -45.04 90.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.755 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.436 ' HG3' ' HA ' ' B' ' 130' ' ' ALA . 52.9 mm-40 -65.88 -32.94 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -177.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 116' ' ' PHE . 48.1 mm -63.33 -35.94 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.147 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.6 p -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.066 0.46 . . . . 0.0 110.587 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -71.33 -43.45 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.294 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.79 -49.1 78.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.088 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 120' ' ' ILE . 4.1 t -68.68 -12.31 15.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.5 m -116.55 4.32 13.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.1 ptm -104.15 -43.66 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.379 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 38.9 m-85 -65.61 -20.0 66.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -176.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.91 90.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -74.27 -33.21 63.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.52 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.27 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.91 40.76 99.29 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.198 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -85.6 15.84 4.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.858 0.837 . . . . 0.0 110.321 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.9 -42.17 5.66 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.831 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.15 -57.35 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 0.0 109.414 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.0 m 36.97 33.82 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 124.561 1.163 . . . . 0.0 113.801 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.8 m 55.97 28.6 12.94 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.117 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.493 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -60.08 118.52 6.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.47 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.77 -150.91 5.47 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.746 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 54.52 49.43 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 0.0 110.23 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 127.04 29.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.495 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -103.88 -175.52 2.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.13 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.8 t -64.63 144.52 57.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.801 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.453 ' O ' HG22 ' B' ' 11' ' ' THR . 1.6 p -154.22 166.63 15.44 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.863 -177.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.52 2.23 2.09 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.403 2.068 . . . . 0.0 112.619 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -139.73 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.447 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 8' ' ' THR . 8.8 t -77.85 -22.41 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.055 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.97 152.8 37.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.18 -35.78 43.98 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.486 2.791 . . . . 0.0 113.352 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.04 71.22 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.818 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.76 0.314 . . . . 0.0 110.581 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.89 67.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.69 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.556 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 12.2 pt-20 -68.81 -33.08 73.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.11 0.481 . . . . 0.0 110.639 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.38 -27.03 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.68 -59.48 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.612 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.7 OUTLIER -71.65 -26.94 62.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.397 -174.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 22.7 m-80 -65.69 -52.34 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.665 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 44.5 p -68.67 -29.74 68.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 111.015 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -59.0 -49.91 76.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 20' ' ' MET . 81.9 mmm -62.55 -36.14 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 86.8 mt-30 -60.7 -42.79 97.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.397 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.2 -37.14 29.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.451 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.457 HD11 ' CE1' ' B' ' 33' ' ' PHE . 34.6 tp -66.49 -31.46 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -177.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.5 t -67.12 -9.24 37.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -109.78 16.48 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.121 0.486 . . . . 0.0 110.068 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -101.17 134.19 20.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.56 -23.47 36.95 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.187 2.591 . . . . 0.0 113.037 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.55 -7.11 87.15 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.072 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' B' ' 27' ' ' LEU . 29.0 m-85 -116.77 159.14 22.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.531 0.681 . . . . 0.0 112.15 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.1 p -124.42 169.1 12.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.447 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.93 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m -60.09 -43.44 95.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.675 ' O ' ' HG3' ' B' ' 41' ' ' MET . 50.7 mt-30 -66.54 -53.98 28.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.443 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.75 -35.3 66.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.684 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.25 -45.4 94.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.016 0.436 . . . . 0.0 110.882 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.56 -44.88 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.258 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' B' ' 37' ' ' GLN . 36.5 mtp -65.42 -34.04 77.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.972 -174.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -67.18 -14.86 63.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.555 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 13.2 m -73.22 -42.31 62.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -66.74 -37.38 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.834 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.43 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.274 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -76.6 -18.99 58.32 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.314 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.6 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 68.3 m -72.76 -43.35 62.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 110.408 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' B' ' 52' ' ' ILE . 85.4 mmm -66.65 -46.37 75.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.598 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 23.7 m -62.64 -37.75 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.654 0.264 . . . . 0.0 111.096 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 8.2 t -73.98 -41.67 61.6 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 48' ' ' MET . 85.2 mt -61.86 -47.52 92.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.4 pt20 -67.26 -29.42 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.235 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -66.13 -38.85 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.09 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.505 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.41 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.791 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.79 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 110.783 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -94.13 -6.99 43.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.478 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 24.74 76.62 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.767 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.99 24.96 11.12 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.03 125.06 34.84 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.224 0.535 . . . . 0.0 111.66 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 43.3 m -143.79 155.15 59.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.543 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 17.3 Cg_endo -52.93 -44.19 50.61 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.46 2.773 . . . . 0.0 112.911 -175.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -69.99 -41.06 74.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.6 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.486 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 56.5 mttm -66.21 -35.29 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.178 0.513 . . . . 0.0 110.673 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.14 -32.08 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.33 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -66.78 -42.92 85.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.047 174.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -63.79 -24.69 67.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 69' ' ' LEU . 30.8 mt -94.91 3.76 54.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.216 0.531 . . . . 0.0 110.195 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -94.57 -51.5 4.72 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.95 -34.6 73.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.277 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.411 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -63.58 -48.97 75.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.586 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.517 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -76.62 -35.22 58.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.213 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.632 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 57.8 p -81.0 4.99 17.73 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.421 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 21.7 mmt -106.7 -11.87 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.315 0.578 . . . . 0.0 109.781 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 -44.58 12.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.63 -174.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.632 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -72.75 -32.35 65.59 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.853 -176.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.515 HG21 ' HG2' ' B' ' 41' ' ' MET . 4.0 mt -55.17 -50.31 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.02 57.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.66 70.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.869 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -67.7 -68.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -139.5 114.57 9.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' B' ' 85' ' ' GLU . 0.0 OUTLIER -97.16 -30.14 13.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.513 1.149 . . . . 0.0 109.654 177.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.56 -53.22 4.06 Favored Glycine 0 C--N 1.298 -1.566 0 CA-C-N 113.313 -1.767 . . . . 0.0 112.483 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.27 55.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.171 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 -155.21 7.0 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.086 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 38.9 t -141.29 166.5 24.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.549 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 0.3 OUTLIER -56.38 -49.25 74.99 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.584 0.552 . . . . 0.0 110.141 -177.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 7.1 p -70.92 -45.26 64.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.206 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -56.77 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.3 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 54.9 pttt -69.5 -29.3 66.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.119 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 60.0 m -67.11 -43.8 81.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -67.84 -37.08 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -59.98 -48.5 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.522 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.85 -46.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.63 0.252 . . . . 0.0 110.669 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.33 85.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.577 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.11 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -60.52 -43.26 97.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.237 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -55.06 -51.83 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -54.47 -41.38 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.888 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.08 -27.66 65.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.032 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 46.2 m-85 -73.43 -31.43 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.23 0.538 . . . . 0.0 110.619 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.7 -21.04 45.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.285 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.0 mm-40 -84.01 -25.04 30.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.58 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.0 p -91.52 -66.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.429 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -105.89 -26.59 11.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.664 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 16.33 23.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.485 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.4 p -159.77 152.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.95 128.59 51.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.586 0.231 . . . . 0.0 110.421 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.645 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 0.2 OUTLIER -57.71 -41.67 82.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 103.99 -67.72 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 125.476 1.51 . . . . 0.0 112.913 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.645 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 11.1 Cg_endo -53.8 -31.87 63.78 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.231 1.954 . . . . 0.0 112.72 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.624 ' O ' HG12 ' B' ' 120' ' ' ILE . 49.0 t80 -53.98 -55.39 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.3 -37.24 78.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.219 0.533 . . . . 0.0 110.959 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.32 -28.26 67.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.041 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -89.74 -22.62 22.1 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.045 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.624 HG12 ' O ' ' B' ' 116' ' ' PHE . 46.2 mm -65.95 -37.64 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.68 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 17.6 p -62.22 -33.31 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.132 0.491 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.61 -37.54 76.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.61 -49.06 79.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.079 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.76 -38.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.037 0.446 . . . . 0.0 110.966 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 17.0 t -81.81 -11.51 58.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.663 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -98.93 -36.64 9.69 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -66.91 -16.23 64.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.684 0.278 . . . . 0.0 111.691 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.538 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -88.29 -7.58 56.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.075 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.436 ' HA ' ' HG3' ' A' ' 119' ' ' GLU . . . -53.64 -43.99 69.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.345 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.17 -18.16 5.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.916 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -78.77 5.27 11.69 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.777 0.798 . . . . 0.0 111.207 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.614 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 1.2 p30 -96.49 -26.35 15.32 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.516 175.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.6 -45.57 7.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.575 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 33.0 m 41.72 30.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 124.641 1.213 . . . . 0.0 113.954 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 50.3 m 54.56 34.4 21.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.865 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.572 179.51 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -93.33 108.15 19.85 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.8 57.19 0.45 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.287 -0.958 . . . . 0.0 113.017 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -84.16 106.97 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.043 0.449 . . . . 0.0 110.138 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -94.55 160.24 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.657 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -89.76 163.0 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.4 t -115.2 156.87 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.998 0.428 . . . . 0.0 110.714 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -134.77 160.7 67.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.443 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.45 -3.61 11.33 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.72 2.28 . . . . 0.0 112.6 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -127.86 23.0 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' A' ' 12' ' ' ASN . 12.7 t -74.41 -11.57 60.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.419 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' A' ' 11' ' ' THR . 11.0 p30 -151.89 153.12 31.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.74 -30.2 83.48 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.084 2.522 . . . . 0.0 112.726 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.49 -55.52 29.54 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.217 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.48 -28.95 68.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.794 0.33 . . . . 0.0 110.776 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.57 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.48 -30.9 62.02 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -54.41 -46.64 73.21 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.761 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.02 -40.02 75.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.367 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.6 mtt -71.91 -50.28 30.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.639 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -69.47 -27.81 65.54 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.775 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 59.3 m -69.49 -25.69 64.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.964 0.411 . . . . 0.0 110.789 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.87 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -33.53 74.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.766 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 18.8 pt20 -68.52 -21.16 64.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -178.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 -28.15 8.0 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.654 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 33' ' ' PHE . 37.4 tp -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.091 0.472 . . . . 0.0 110.303 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 p -68.26 -16.52 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.641 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -103.62 10.89 36.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.4 139.92 25.4 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.916 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.29 -21.78 40.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.138 2.559 . . . . 0.0 112.99 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.88 76.51 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.377 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 27' ' ' LEU . 77.9 m-85 -115.4 169.28 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 111.603 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -119.64 152.33 37.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.775 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.54 66.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -71.37 -48.75 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.04 -18.28 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 0.0 111.118 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 28' ' ' SER . 57.3 mt -69.64 -24.48 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.02 -42.29 84.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.596 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.45 -42.36 92.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.942 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.552 ' HG2' HG21 ' A' ' 80' ' ' ILE . 30.6 mtp -68.58 -41.14 80.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.101 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -29.9 69.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.779 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 16.7 m -61.54 -42.38 98.74 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.863 0.364 . . . . 0.0 110.163 177.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -66.44 -37.72 80.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.304 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.65 75.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.866 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -74.1 -15.63 61.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.436 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 m -79.19 -41.53 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.984 0.421 . . . . 0.0 110.201 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 95.0 mmm -65.87 -44.0 86.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.624 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 33.4 m -66.55 -38.55 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.0 -38.74 82.99 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 121.251 -0.18 . . . . 0.0 110.712 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.648 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.2 t -58.15 -53.73 54.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.05 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.78 -51.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 48.3 mt-30 -61.65 -38.53 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.256 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.4 m -73.31 -32.54 64.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 51' ' ' SER . 75.3 mt -69.26 -34.82 75.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.411 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.56 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.971 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.18 78.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -77.64 -41.84 36.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.61 52.36 0.67 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.24 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -131.25 19.17 4.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.33 0.586 . . . . 0.0 110.049 173.513 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 162.01 15.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.683 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 31.2 t -170.79 149.95 2.99 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.9 -34.9 78.09 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.269 1.979 . . . . 0.0 111.452 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -75.63 -31.28 59.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.164 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 9.5 tppt? -72.88 -39.97 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.984 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 62' ' ' SER . 69.6 mt -65.95 -29.99 70.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.765 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 52.4 tt0 -58.56 -51.2 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.801 176.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -61.16 -30.51 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.324 0.583 . . . . 0.0 111.068 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 65' ' ' LYS . 3.9 mm? -70.43 -18.22 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.873 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.3 m-20 -73.6 -56.3 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.7 mmm -65.66 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.36 71.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.464 ' N ' ' HE2' ' A' ' 48' ' ' MET . 60.3 t80 -79.02 -44.98 21.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.292 0.568 . . . . 0.0 110.265 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.45 -33.87 75.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.963 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -74.96 -44.7 46.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.485 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.5 p -65.29 -33.03 75.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.876 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.449 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 29.7 mmt -64.22 -38.72 92.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.78 83.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' OE1' ' HB2' ' B' ' 71' ' ' MET . 44.2 tt0 -57.71 -52.32 65.92 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.659 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.552 HG21 ' HG2' ' A' ' 41' ' ' MET . 9.6 mt -64.64 -42.94 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.63 80.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.602 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.41 70.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.234 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 m -85.0 -50.04 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -92.49 134.96 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.576 0.703 . . . . 0.0 112.18 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.77 149.22 23.35 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.045 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.48 32.24 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.343 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.32 -47.48 0.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.46 159.66 23.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.961 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.4 p -95.87 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.619 0.209 . . . . 0.0 110.573 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.62 -36.73 72.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 p -74.94 -40.55 60.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.106 0.479 . . . . 0.0 110.559 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -63.39 -47.94 79.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.357 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.58 -38.37 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.781 0.324 . . . . 0.0 110.833 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.6 m -65.68 -47.77 74.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.5 t -66.28 -32.73 74.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.594 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -59.86 -48.27 82.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.32 -40.84 83.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.624 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.12 78.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.259 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 t -67.07 -43.1 83.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -67.21 -35.09 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.716 -178.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -66.37 -36.0 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.164 0.507 . . . . 0.0 110.187 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m -68.49 -39.88 81.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.612 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.1 p-10 -75.34 -20.15 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.561 -175.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.49 75.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 39.2 m-85 -65.93 -28.55 69.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 111.291 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.78 -7.06 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.309 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -98.06 -46.39 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -74.1 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.615 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -101.48 -55.0 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.895 0.378 . . . . 0.0 111.103 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.12 6.14 8.46 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.99 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -141.02 147.84 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -104.36 141.87 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 27.1 t-20 -100.68 123.51 44.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.51 -60.61 9.48 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 Cg_endo -49.1 -42.2 39.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.17 1.913 . . . . 0.0 112.631 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 120' ' ' ILE . 40.4 t80 -56.1 -56.25 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.3 . . . . 0.0 110.61 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.18 -42.16 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.8 -37.15 81.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 39.4 mm-40 -62.72 -38.14 89.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -59.85 -40.13 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.975 -177.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.6 p -67.34 -31.9 72.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 110.889 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -71.97 -33.86 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.21 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -48.46 81.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.39 -38.55 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 110.22 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 t -65.69 -47.33 75.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.158 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.3 ptm -69.69 -45.06 69.14 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.12 -23.65 67.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.33 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.98 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.149 0.499 . . . . 0.0 110.843 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -93.71 -27.68 16.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.764 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.64 3.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.986 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.86 89.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.562 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -79.72 8.37 6.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.945 0.878 . . . . 0.0 110.95 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.24 -36.22 8.58 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.443 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.95 -49.56 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.16 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.1 m 37.71 34.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 124.544 1.152 . . . . 0.0 113.604 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.0 p 50.14 33.19 6.75 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.917 0.887 . . . . 0.0 112.31 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -76.49 119.72 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.22 -150.63 5.32 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.092 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 67.46 40.27 2.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.794 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -61.97 136.86 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.86 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -79.32 167.8 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.4 t -91.05 151.57 20.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.356 0.598 . . . . 0.0 111.493 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.585 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 16.9 p -135.71 156.81 77.2 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.443 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 35.8 Cg_endo -67.37 1.92 2.69 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.186 1.924 . . . . 0.0 112.995 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 9.8 p90 -134.77 10.93 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.585 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.8 t -76.72 -24.36 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.188 0.518 . . . . 0.0 110.438 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.414 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -141.8 150.6 57.23 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.57 -31.68 92.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.754 2.303 . . . . 0.0 112.829 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.77 -36.63 93.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.912 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 18' ' ' ASN . 75.1 mt -84.72 -32.01 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.482 -0.422 . . . . 0.0 110.74 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.25 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.328 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -22.74 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.435 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASN . . . . . 0.475 ' HB2' ' HA ' ' B' ' 15' ' ' LEU . 0.5 OUTLIER -63.57 -44.6 93.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.668 177.431 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.22 -38.88 66.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.882 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 16.0 mmt -62.18 -60.0 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.117 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.479 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 2.3 p-10 -68.27 -30.5 69.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.272 -175.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -65.15 -38.0 89.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.02 -49.28 75.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.666 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 80.7 mmm -60.69 -36.71 79.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.392 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 81.1 mt-30 -57.11 -55.2 37.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 0.0 110.417 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.09 91.1 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.388 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.37 -32.26 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.684 0.278 . . . . 0.0 110.831 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -69.72 -6.41 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.646 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -112.66 9.69 19.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.597 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -92.75 144.46 28.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.731 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.55 -15.06 14.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.926 2.418 . . . . 0.0 113.045 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -74.37 -25.24 71.07 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.522 -176.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -122.08 152.77 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 111.164 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 86' ' ' GLY . 17.6 p -102.79 169.8 8.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.513 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.21 96.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.5 t -62.83 -35.18 79.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' B' ' 41' ' ' MET . 25.6 mm-40 -62.2 -52.06 65.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.887 0.375 . . . . 0.0 111.248 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.81 -27.61 69.0 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.1 -25.34 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.897 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.5 -35.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.527 ' HG2' HG21 ' B' ' 80' ' ' ILE . 43.6 mtp -72.99 -37.54 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.642 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.6 p -59.06 -24.54 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m -59.24 -39.94 84.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 48' ' ' MET . 60.8 mt -72.99 -35.59 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 109.873 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.94 89.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 176.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.34 -18.4 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.872 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.448 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 59.4 p -83.31 -34.76 25.64 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.459 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 86.4 mmm -65.4 -43.61 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.112 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 31.7 m -68.49 -38.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.852 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -65.35 -39.32 92.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 23.2 t -60.02 -53.19 60.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.956 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 85.7 mt -55.21 -46.62 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.366 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.11 -40.85 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.001 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -70.21 -32.24 70.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 51' ' ' SER . 78.3 mt -68.71 -37.3 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.12 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -27.6 63.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.465 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 44.2 mt-30 -96.6 -3.27 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.21 14.7 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.616 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.556 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -133.41 20.22 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 0.0 110.387 172.501 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 149.93 31.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.121 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -171.15 151.72 3.24 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.86 -39.96 76.55 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.613 2.209 . . . . 0.0 111.034 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.4 -48.38 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.161 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -41.46 96.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.888 -176.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -69.72 -36.3 75.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.489 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.27 -47.21 77.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.41 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.9 -22.92 65.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.267 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 mt -87.83 -5.71 58.48 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -76.87 -46.16 25.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.432 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 96.5 mmm -77.87 -34.32 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -26.99 64.51 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.189 0.519 . . . . 0.0 111.132 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.11 -45.15 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.54 . . . . 0.0 110.155 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -64.46 -34.91 79.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.683 -178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.8 p -71.45 -45.56 62.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.423 ' HB2' HD13 ' B' ' 44' ' ' ILE . 12.3 p -67.04 -35.22 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.414 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.5 mmt -64.95 -38.83 92.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 110.467 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.07 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.469 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.596 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 88.8 tt0 -58.12 -52.57 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' B' ' 41' ' ' MET . 8.7 mt -62.49 -39.02 82.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.141 0.496 . . . . 0.0 110.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.55 86.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.299 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.37 67.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.863 0.363 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' B' ' 133' ' ' ASN . 48.0 m -70.09 -64.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.525 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -120.99 -178.73 3.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.212 0.529 . . . . 0.0 111.537 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.429 ' HB3' ' HE2' ' B' ' 93' ' ' LYS . 6.0 pt-20 -158.66 150.12 20.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.102 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.421 ' O ' HG23 ' B' ' 34' ' ' THR . . . -128.36 72.57 0.47 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.644 -174.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.47 -32.2 7.79 Favored Glycine 0 CA--C 1.499 -0.94 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -100.22 156.51 19.55 Favored Glycine 0 N--CA 1.434 -1.448 0 CA-C-N 114.593 -0.804 . . . . 0.0 112.432 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -93.94 -170.25 2.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.3 tp -54.83 -38.59 67.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.604 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -67.14 -46.88 72.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.317 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -67.24 -46.08 74.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.518 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 85' ' ' GLU . 19.2 ptpt -61.82 -41.05 97.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.0 110.598 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 58.4 m -66.33 -44.11 84.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -62.15 -36.06 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.58 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -64.37 -49.7 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' B' ' 101' ' ' MET . 59.2 mt -63.22 -46.8 94.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.25 82.99 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -68.52 -39.83 81.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.98 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.162 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.2 mmt -64.62 -42.99 95.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.104 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 28.9 m -60.46 -34.41 73.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.2 t30 -62.22 -52.84 62.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.543 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -33.99 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.238 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.1 m-85 -67.08 -37.36 83.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.779 0.324 . . . . 0.0 111.29 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.62 -20.64 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.289 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 83.8 mm-40 -81.6 -34.65 30.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.079 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 7.5 p -93.71 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -93.34 -45.13 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.06 0.457 . . . . 0.0 111.381 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.28 4.25 25.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.9 p -142.2 149.22 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.18 133.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -88.84 105.53 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.109 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 55.3 mt-30 -54.79 -50.99 82.83 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 34.5 Cg_endo -64.55 -0.32 2.92 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.075 1.85 . . . . 0.0 113.373 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.489 ' O ' HG12 ' B' ' 120' ' ' ILE . 47.4 t80 -93.14 -52.96 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.2 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.863 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -74.3 -5.73 43.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.194 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.99 -28.8 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 110.423 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.489 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -63.52 -34.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.798 -178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -59.12 -34.99 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.05 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.911 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.75 -49.27 78.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.367 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.36 -35.42 66.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.054 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -77.82 -46.06 22.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.1 ptm -59.43 -46.64 88.16 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.31 -32.02 73.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.699 0.285 . . . . 0.0 110.85 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -35.51 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.671 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.13 -30.11 49.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.604 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.59 98.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.099 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.84 18.86 71.74 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.024 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -80.79 11.33 3.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.862 0.839 . . . . 0.0 110.308 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 83' ' ' SER . 1.3 p30 -104.73 -26.89 12.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.705 176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.27 -46.63 10.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.464 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.6 m 41.58 25.64 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.1 t 48.07 61.66 2.88 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.849 0.46 . . . . 0.0 111.188 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.798 -179.704 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -74.74 86.01 2.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.062 0.458 . . . . 0.0 110.859 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.82 15.21 0.91 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.887 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -111.35 94.79 5.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -89.58 129.51 36.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.307 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 7' ' ' THR . 30.3 m170 -70.38 -43.3 70.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.617 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 6' ' ' HIS . 1.2 t 53.55 10.75 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.807 1.243 . . . . 0.0 112.861 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 11' ' ' THR . 23.4 p -67.23 155.32 90.91 Favored Pre-proline 0 C--N 1.307 -1.256 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.925 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.0 -23.39 43.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.301 2.001 . . . . 0.0 112.306 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -103.61 18.78 21.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.022 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 8' ' ' THR . 10.6 t -82.69 -14.55 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.989 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -153.21 149.26 21.26 Favored Pre-proline 0 C--O 1.233 0.202 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.19 -36.82 97.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.814 2.342 . . . . 0.0 113.086 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -50.63 63.75 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.978 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -68.21 -35.5 78.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.311 -0.523 . . . . 0.0 110.924 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.01 -34.56 57.46 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.864 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -63.85 -27.61 69.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 111.114 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -59.87 -34.28 72.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.694 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mmt -75.35 -45.83 36.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 109.247 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 25.4 m120 -61.74 -49.27 77.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -32.71 72.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' A' ' 27' ' ' LEU . 79.7 t80 -69.61 -50.02 48.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.648 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -61.22 -36.38 79.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.727 -176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.6 mt-30 -59.85 -46.37 89.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.927 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.26 -32.71 46.98 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD22 ' CE2' ' A' ' 23' ' ' PHE . 38.7 tp -68.33 -31.18 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 110.77 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -72.27 2.07 6.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.193 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -114.85 11.69 16.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.463 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -98.37 141.99 23.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.081 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.94 -27.18 12.43 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.885 2.39 . . . . 0.0 113.159 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.26 -15.45 70.08 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.925 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -116.33 155.48 28.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.215 0.531 . . . . 0.0 111.008 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.8 p -111.84 153.94 25.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.913 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.56 39.07 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.252 0.345 . . . . 0.0 111.742 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 m -60.09 -42.26 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -69.07 -45.5 70.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.67 -40.33 68.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.21 -23.51 61.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.156 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -86.2 -43.51 12.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.2 ptm -73.28 -22.42 60.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.9 -28.99 69.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.514 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -58.3 -41.47 84.5 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' A' ' 80' ' ' ILE . 58.2 mt -75.85 -36.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 0.0 110.192 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -50.54 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.001 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -14.4 60.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.61 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -82.0 -40.41 22.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.74 0.305 . . . . 0.0 110.424 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 83.7 mmm -62.6 -42.35 99.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.45 -38.22 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.41 -35.82 76.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.499 0.19 . . . . 0.0 110.919 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.25 -43.35 98.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 0.0 110.292 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.88 -49.22 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.379 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -56.52 -39.11 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -67.43 -46.76 72.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.84 -33.6 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.8 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.68 89.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.788 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.81 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -88.84 -10.86 46.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.089 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.34 28.6 65.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.269 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -107.32 13.26 27.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.019 0.438 . . . . 0.0 110.621 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -84.68 116.58 23.28 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 m -110.94 157.37 38.83 Favored Pre-proline 0 C--N 1.317 -0.848 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.469 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.57 -43.75 54.98 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -69.77 -36.94 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.298 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 3.4 tppt? -59.59 -50.3 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.479 0.657 . . . . 0.0 110.299 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.58 -32.43 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.893 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.09 -43.24 87.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.9 93.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.777 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.62 -10.34 59.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -76.25 -51.38 12.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.663 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 26.0 mtp -82.77 -24.18 33.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.991 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.32 73.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 0.0 110.056 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.31 -47.18 77.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.387 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.23 83.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.292 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -73.61 -35.89 65.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 32.3 t -65.3 -39.07 92.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.437 0.637 . . . . 0.0 110.646 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -70.37 -27.01 64.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.903 0.382 . . . . 0.0 110.193 177.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.5 65.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 10.4 pt-20 -66.45 -40.16 89.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.252 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 44' ' ' ILE . 19.6 mt -60.66 -44.39 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.266 0.555 . . . . 0.0 110.108 175.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.07 -48.09 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.76 82.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -54.29 -68.28 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.802 0.689 . . . . 0.0 111.961 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.53 161.22 35.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB3' ' HE2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -148.27 159.03 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.373 -178.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.28 -34.77 0.4 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.569 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.53 -6.25 47.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.98 -153.1 6.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.005 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.8 t -126.86 -167.68 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.37 -37.0 71.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.707 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -66.31 -48.67 69.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.3 0.571 . . . . 0.0 110.321 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -44.32 91.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.631 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 85' ' ' GLU . 19.5 ptpt -63.87 -37.76 88.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.5 m -65.46 -49.77 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 m -61.92 -38.08 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.2 m -59.5 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 101' ' ' MET . 58.1 mt -66.29 -44.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.544 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.53 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.522 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -67.7 -35.03 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.742 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.85 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.343 . . . . 0.0 110.707 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 103' ' ' ASN . 26.0 mmt -64.09 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -77.69 20.78 0.32 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.486 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.7 t30 -126.67 -43.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.39 78.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.156 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.557 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 63.9 m-85 -64.4 -32.41 74.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 111.331 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? -78.3 -11.49 59.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.591 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.8 mm-40 -95.16 -34.25 12.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.385 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.06 -68.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.709 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 p -91.37 -43.54 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.057 0.456 . . . . 0.0 110.789 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.78 12.87 13.54 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.421 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -148.73 149.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG1' HD21 ' A' ' 106' ' ' LEU . 2.6 p -126.46 142.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 -176.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.16 121.53 45.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.753 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.557 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -58.8 -53.56 65.17 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.501 -176.61 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD3' ' HB2' ' A' ' 114' ' ' GLN . 88.4 Cg_exo -45.55 -44.26 17.27 Favored 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.25 1.967 . . . . 0.0 113.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.37 -48.3 81.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.17 -37.71 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -71.58 -12.41 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.465 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 25.0 mm-40 -83.69 -41.75 17.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.25 -33.49 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.362 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.4 p -66.43 -21.57 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.528 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.82 -36.83 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.04 -59.28 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.425 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.69 -35.56 60.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.872 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -73.97 -44.91 53.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.401 -176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.8 ptm -70.85 -39.13 73.13 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.27 -21.33 66.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.569 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.673 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -80.89 -19.48 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.413 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.01 83.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.144 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.69 22.71 75.45 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.51 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -81.71 12.44 3.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.64 0.733 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -94.81 -34.02 12.64 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.533 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.15 -42.59 14.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.049 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.0 m 37.7 37.62 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.544 1.152 . . . . 0.0 113.401 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.3 p 53.33 25.18 4.31 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.083 0.953 . . . . 0.0 112.591 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.368 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 67.16 6.01 4.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.044 0.538 . . . . 0.0 111.818 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.68 -22.8 11.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.281 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -64.18 107.26 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.444 0.64 . . . . 0.0 110.894 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -109.88 154.35 23.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.54 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.412 ' O ' HG22 ' B' ' 7' ' ' THR . 89.7 m-70 -68.58 -34.53 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 6' ' ' HIS . 2.3 t 50.93 17.35 0.42 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.075 1.35 . . . . 0.0 114.113 171.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.421 ' O ' HG22 ' B' ' 11' ' ' THR . 4.9 p -116.35 158.22 43.55 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.361 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.86 -26.18 44.8 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.475 2.117 . . . . 0.0 112.148 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -93.94 23.23 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.421 HG22 ' O ' ' B' ' 8' ' ' THR . 9.4 t -72.6 -24.73 61.12 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.776 177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.42 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.84 151.79 35.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.94 -36.66 84.41 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.933 2.422 . . . . 0.0 113.186 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.05 -50.45 67.58 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.063 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.29 -32.8 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.513 -0.404 . . . . 0.0 110.72 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -78.34 -31.88 48.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 110.627 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -33.8 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 175.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -55.52 -46.06 77.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.5 mmt -61.4 -50.04 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.576 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -63.15 -28.19 69.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.411 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' B' ' 27' ' ' LEU . 73.2 t80 -75.23 -53.8 8.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.5 mmm -61.2 -39.07 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.56 -33.88 76.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.66 -37.31 23.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.968 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 33' ' ' PHE . 31.3 tp -65.85 -29.29 69.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -67.83 -10.49 53.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.247 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m -104.15 13.5 32.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.57 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.65 138.54 19.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.852 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.54 -18.89 28.92 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.058 2.505 . . . . 0.0 113.43 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.66 -24.17 75.39 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.296 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' B' ' 27' ' ' LEU . 66.5 m-85 -113.44 160.72 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -128.39 172.41 11.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.9 72.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.988 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.6 m -64.04 -39.68 94.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -82.07 -43.79 17.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -30.99 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.932 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.96 -37.69 74.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.645 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -86.86 -38.36 16.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.831 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -77.02 -25.97 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -60.35 -35.89 76.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.023 0.439 . . . . 0.0 110.285 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 4.4 m -58.84 -45.83 89.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.749 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.464 HD12 HD11 ' B' ' 80' ' ' ILE . 66.2 mt -67.12 -37.69 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.62 76.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -7.98 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.421 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.3 m -83.21 -43.27 16.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.439 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 86.0 mmm -60.7 -39.47 88.63 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.96 -37.12 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.65 -31.3 66.69 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.654 0.264 . . . . 0.0 110.932 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -63.89 -44.84 91.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.65 -46.5 96.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.47 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.44 -38.89 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.352 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -66.04 -41.67 90.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.668 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.74 -35.67 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.06 97.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.59 -14.0 61.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.348 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -105.47 -0.33 26.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.39 28.95 70.51 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.617 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.64 20.68 18.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.252 0.548 . . . . 0.0 110.163 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.7 p -101.09 116.54 33.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.571 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' B' ' 65' ' ' LYS . 14.6 m -116.94 158.9 42.85 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.006 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.2 -44.88 45.23 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -71.75 -35.66 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.101 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' B' ' 62' ' ' SER . 9.3 tppt? -60.36 -48.03 83.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.63 -40.95 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.86 -44.46 86.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.876 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.536 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -69.61 -8.65 49.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.76 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 69' ' ' LEU . 28.0 mt -104.61 -0.96 27.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.922 0.392 . . . . 0.0 110.642 173.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.98 8.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.445 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 12.4 mtp -78.51 -28.63 46.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.215 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.39 -42.23 66.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.193 0.52 . . . . 0.0 110.478 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -69.5 -50.66 43.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.387 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -36.42 72.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.47 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -73.62 -40.12 64.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.552 ' O ' ' HG3' ' B' ' 79' ' ' GLU . 21.5 t -64.5 -36.25 83.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.259 0.552 . . . . 0.0 110.585 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -70.0 -22.17 63.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.872 0.368 . . . . 0.0 110.409 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.04 -47.39 18.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.768 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.663 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 0.0 OUTLIER -61.96 -46.7 88.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 76' ' ' SER . 22.5 mt -55.05 -45.59 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -48.07 62.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.287 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.04 69.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.512 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -68.05 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -138.93 132.08 29.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 93' ' ' LYS . 1.5 pm0 -89.84 164.47 14.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.66 -35.56 22.07 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.089 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.61 -30.75 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.719 -0.553 . . . . 0.0 111.719 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.83 163.17 54.62 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.519 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -76.91 -175.24 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.0 111.258 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.92 -38.06 84.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.092 0.472 . . . . 0.0 110.122 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.9 m -67.68 -44.2 78.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.272 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -61.77 -47.52 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.496 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' B' ' 85' ' ' GLU . 9.1 ptpp? -62.32 -35.52 79.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 110.825 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -69.69 -48.77 58.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -62.14 -34.34 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -61.13 -48.95 79.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -68.64 -46.32 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.0 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.73 83.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t -65.49 -36.57 84.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.59 67.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.691 0.282 . . . . 0.0 111.075 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.0 mmt -61.77 -37.46 84.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.12 0.486 . . . . 0.0 109.995 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -77.06 16.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.969 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.6 t30 -121.38 -41.95 2.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.27 76.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.176 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 56.6 m-85 -63.99 -36.0 82.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.147 0.498 . . . . 0.0 111.475 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.447 ' N ' HD12 ' B' ' 106' ' ' LEU . 6.3 mp -73.63 -18.79 61.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.717 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.3 mm-40 -85.39 -34.78 21.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 p -86.28 -67.43 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.489 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -88.94 -43.37 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.454 . . . . 0.0 110.596 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.11 -2.39 20.9 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -139.79 149.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 138.26 43.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.035 0.445 . . . . 0.0 111.141 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -91.29 109.62 20.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.124 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.93 -52.77 69.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 85.1 Cg_exo -47.74 -44.9 25.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.182 1.921 . . . . 0.0 112.504 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.562 ' O ' HG12 ' B' ' 120' ' ' ILE . 43.3 t80 -58.3 -53.3 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.87 -39.95 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.295 0.569 . . . . 0.0 110.667 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.94 -14.08 60.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.613 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 48.1 mm-40 -86.18 -33.88 20.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 116' ' ' PHE . 50.1 mm -63.42 -40.88 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 15.5 p -58.96 -37.44 76.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -70.7 -35.76 72.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.991 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.93 -49.68 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.5 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.29 -35.78 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.037 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -84.26 1.85 42.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.909 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 20.7 ptm -109.63 -42.67 4.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.905 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' B' ' 126' ' ' MET . 28.4 m-85 -65.36 -19.12 65.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 111.117 -177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.91 76.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -84.47 -19.24 33.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.636 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.37 -56.42 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.301 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.5 20.07 76.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.087 174.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -84.4 21.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.769 0.795 . . . . 0.0 110.835 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -105.98 -35.99 7.11 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.729 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -84.5 -58.72 2.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.639 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 25.1 m 42.21 21.73 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 124.851 1.344 . . . . 0.0 113.677 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m 32.91 54.08 0.39 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.722 1.209 . . . . 0.0 113.222 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.742 -179.126 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 55.59 81.7 0.11 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.502 0.667 . . . . 0.0 110.788 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.59 50.79 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.77 105.51 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.239 -0.48 . . . . 0.0 111.15 -173.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -72.71 104.25 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -141.31 152.99 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.78 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -106.16 144.97 32.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.169 0.509 . . . . 0.0 111.248 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' THR . 1.3 p -153.84 147.16 18.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.772 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 15.6 Cg_exo -69.05 -23.77 33.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.281 1.987 . . . . 0.0 112.26 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -103.12 13.35 34.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 8' ' ' THR . 11.0 t -85.88 -3.28 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.628 0.728 . . . . 0.0 109.254 174.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.12 123.65 12.51 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.894 -174.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.97 -41.51 78.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.319 2.013 . . . . 0.0 111.278 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -37.18 94.06 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -78.33 -34.05 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.245 -0.562 . . . . 0.0 110.642 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.27 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.92 -37.84 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.292 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -67.44 -24.31 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -58.06 -46.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.098 0.475 . . . . 0.0 109.938 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.49 -41.74 75.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.317 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -59.7 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.878 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -72.46 -15.57 61.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.496 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 69.9 t80 -82.86 -54.28 5.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.272 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.2 mmm -61.48 -36.25 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.25 -28.32 67.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.941 0.4 . . . . 0.0 110.752 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.55 -33.72 5.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.209 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.4 tp -67.97 -34.92 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.759 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 6.8 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 111.321 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -117.85 5.93 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.259 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.8 mmt -92.66 142.27 25.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 -23.72 26.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.854 2.369 . . . . 0.0 112.835 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.23 -8.1 73.84 Favored Glycine 0 C--O 1.238 0.358 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 27' ' ' LEU . 74.5 m-85 -126.76 150.9 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.168 0.509 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -117.07 170.9 8.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.809 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.28 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 0.0 111.038 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -61.55 -41.64 97.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -76.93 -40.74 46.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.979 0.419 . . . . 0.0 110.479 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.16 -34.04 76.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.004 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.01 -41.54 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 5.5 t0 -75.12 -44.76 45.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -175.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ptp -73.32 -26.62 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.684 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -63.07 -31.51 72.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -64.69 -46.44 82.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.132 0.492 . . . . 0.0 109.983 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.533 HD12 HD11 ' A' ' 80' ' ' ILE . 71.8 mt -64.22 -42.3 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.092 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.95 -57.98 5.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -62.45 -36.61 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.381 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.5 m -64.19 -36.82 85.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.7 mmm -75.05 -41.25 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.4 t -57.21 -52.21 59.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.336 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.97 -28.16 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.35 -43.33 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 70.9 mm-40 -58.33 -43.45 88.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.528 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 m -65.93 -33.2 75.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.1 -37.35 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.54 71.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.07 -32.37 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.283 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -85.68 -26.45 25.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.02 51.91 2.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.709 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 31.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 111.254 175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -84.97 117.5 23.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.388 . . . . 0.0 110.673 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -124.08 152.46 67.04 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.392 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -52.94 -46.89 30.66 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.105 2.536 . . . . 0.0 112.41 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -69.07 -40.8 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.347 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -64.43 -35.39 80.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.216 0.532 . . . . 0.0 110.274 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.19 -39.13 63.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.44 -44.9 89.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.686 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.38 75.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.976 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.9 -34.62 74.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -58.23 -47.44 83.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.879 0.371 . . . . 0.0 110.292 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -42.33 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.832 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -53.27 -45.05 68.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.379 . . . . 0.0 110.781 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 77' ' ' MET . 76.3 t80 -65.88 -50.4 64.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.661 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.51 75.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -71.16 -38.18 72.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.808 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 80' ' ' ILE . 32.3 t -65.64 -41.89 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.21 0.529 . . . . 0.0 110.075 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -61.15 -27.36 68.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.91 0.386 . . . . 0.0 110.395 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -48.21 23.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 79' ' ' GLU . 1.4 pp20? -69.52 -33.78 73.31 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.533 HD11 HD12 ' A' ' 44' ' ' ILE . 27.3 mt -59.52 -42.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 173.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.57 -48.42 19.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.909 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.21 73.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.564 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.658 ' HB3' ' OD1' ' A' ' 133' ' ' ASN . 42.0 m -78.6 -61.29 2.06 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -122.55 132.38 54.28 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.29 174.53 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.7 -65.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.102 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.13 3.1 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.46 117.67 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 p -66.1 164.15 16.07 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.526 0.33 . . . . 0.0 111.622 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 3.2 tm? -53.23 -51.77 61.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.392 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -63.15 -41.18 99.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.7 m -63.02 -50.75 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.2 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -173.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 m -67.47 -45.16 76.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.13 0.49 . . . . 0.0 110.109 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -65.67 -34.65 78.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.154 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -59.29 -47.16 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.08 -50.93 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.0 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.483 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 t -66.29 -35.21 79.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.9 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.31 -32.18 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.288 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 mmt -60.33 -51.85 67.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.104 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 p -62.51 -30.83 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.767 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.2 t30 -64.0 -45.12 90.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.73 75.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.789 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.615 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 61.3 m-85 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.997 0.427 . . . . 0.0 111.247 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.23 -24.09 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.4 mm-40 -84.47 -24.89 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -94.25 -77.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.878 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.9 t -88.14 -35.67 17.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.191 -177.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.09 19.34 12.85 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.378 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.615 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.2 p -148.27 147.81 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.28 124.62 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.64 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 116' ' ' PHE . 62.0 t30 -75.73 98.85 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 52.8 tt0 -58.94 -52.92 71.38 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.764 -170.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 14.7 Cg_endo -57.28 -26.55 70.83 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.108 1.872 . . . . 0.0 112.516 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.465 ' O ' HG12 ' A' ' 120' ' ' ILE . 66.0 t80 -66.27 -49.19 67.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.383 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.55 -33.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.207 0.527 . . . . 0.0 110.304 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.669 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -85.03 -35.08 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.797 0.332 . . . . 0.0 110.361 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.0 mm -61.37 -38.21 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.7 p -64.28 -37.74 88.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -69.34 -34.99 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.99 -49.43 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.5 t -65.69 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.21 0.528 . . . . 0.0 110.275 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.3 t -76.45 -16.99 59.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.862 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -96.86 -43.53 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.231 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -65.93 -16.93 64.31 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.608 0.242 . . . . 0.0 111.329 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.19 77.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.233 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -83.85 -16.84 43.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.729 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -69.61 0.35 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 53.52 53.07 37.43 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 116.013 -0.54 . . . . 0.0 113.198 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 21.42 1.42 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.877 0.846 . . . . 0.0 110.719 -175.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.658 ' OD1' ' HB3' ' A' ' 83' ' ' SER . 0.7 OUTLIER -87.62 -40.49 14.16 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.66 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.47 -37.34 13.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.845 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 17.9 m 40.47 41.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 124.44 1.088 . . . . 0.0 113.179 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m 63.17 20.81 12.5 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.408 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -178.643 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.243 -0.343 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -147.2 168.81 20.73 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.42 7.46 26.23 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.848 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -97.26 17.62 16.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.527 . . . . 0.0 110.758 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p -62.17 118.51 7.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.882 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -124.75 157.86 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -105.03 171.5 7.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.287 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.4 ' H ' ' HB ' ' B' ' 11' ' ' THR . 6.0 p -148.43 160.47 36.47 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.093 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' LEU . 27.4 Cg_exo -63.59 -8.32 14.9 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.706 2.271 . . . . 0.0 112.463 176.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -125.24 24.44 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.372 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.4 ' HB ' ' H ' ' B' ' 8' ' ' THR . 7.6 t -62.64 -24.57 67.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.477 ' HB2' HD23 ' B' ' 15' ' ' LEU . 17.6 m120 -132.88 153.93 81.21 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.32 -28.22 33.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.97 2.446 . . . . 0.0 112.895 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.52 47.87 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.7 mm? -76.06 -34.13 59.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.176 0.512 . . . . 0.0 109.745 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.82 85.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.842 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.05 -33.68 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.59 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -62.3 -35.94 80.58 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.838 0.351 . . . . 0.0 110.644 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.71 -43.06 98.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.331 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.0 mtt -71.68 -44.19 64.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.492 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -57.53 -50.43 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.862 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -64.57 -20.74 66.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.17 -52.5 6.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.014 0.435 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mmm -67.46 -28.87 68.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -71.99 -20.6 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 0.0 111.096 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.58 -28.66 6.23 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 33' ' ' PHE . 35.7 tp -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 110.759 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.0 p -61.11 -20.59 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 66.2 m -114.4 16.7 17.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.822 0.344 . . . . 0.0 111.536 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.1 mmt -81.39 138.77 48.13 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.535 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.04 -17.46 40.82 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 122.953 2.436 . . . . 0.0 113.323 -174.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -13.44 75.92 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.455 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' B' ' 27' ' ' LEU . 31.8 m-85 -118.02 163.88 15.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.598 -176.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 64.0 p -122.97 151.05 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.572 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.65 -36.4 71.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.646 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -66.12 -26.34 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.658 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.452 ' NE2' ' HG3' ' B' ' 84' ' ' GLU . 94.7 mt-30 -88.23 -30.57 19.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.638 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.84 -18.31 64.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.823 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -29.53 67.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.929 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -86.04 -38.8 17.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.7 ptm -84.41 -26.43 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.548 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -65.02 -31.88 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 110.527 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -60.68 -41.01 94.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.007 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.561 HD12 HD11 ' B' ' 80' ' ' ILE . 55.7 mt -68.92 -39.09 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.008 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -51.79 -56.78 11.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.094 0.473 . . . . 0.0 110.171 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.47 -40.14 90.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.641 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -63.31 -37.96 89.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.009 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 71.0 mmm -72.33 -40.96 67.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.614 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.2 t -55.32 -55.08 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.948 175.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -66.69 -33.05 74.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -61.15 -45.9 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 0.0 109.924 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.72 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.976 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 77.3 mm-40 -58.08 -38.8 77.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.137 0.494 . . . . 0.0 110.163 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -66.44 -37.52 85.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.9 -33.55 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.63 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' OG1' ' B' ' 61' ' ' THR . . . -69.5 -43.86 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.58 76.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.267 0.556 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.69 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.817 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.93 51.17 1.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.954 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 60' ' ' ARG . 0.0 OUTLIER -133.09 25.05 4.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.091 0.472 . . . . 0.0 110.373 174.692 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -92.04 123.06 35.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.218 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.9 m -140.7 154.93 69.49 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.181 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.78 -33.59 71.32 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 112.708 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.81 -53.75 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.529 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.422 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 21.2 mtpp -66.69 -31.22 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.049 -178.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.83 -29.64 64.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.301 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -67.15 -42.83 83.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.102 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.71 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.63 -20.27 54.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.283 0.563 . . . . 0.0 109.739 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -67.29 -50.56 59.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.0 mmm -68.0 -37.12 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.883 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.74 -45.81 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.809 0.338 . . . . 0.0 110.495 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.72 -50.73 61.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.23 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.407 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -75.07 -36.87 61.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 19.2 t -63.27 -44.97 93.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.105 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mmt -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.363 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.07 -52.03 10.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.013 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 79' ' ' GLU . 1.8 pp20? -64.73 -38.87 92.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.561 HD11 HD12 ' B' ' 44' ' ' ILE . 19.8 mt -59.35 -45.92 92.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.459 0.647 . . . . 0.0 109.941 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.82 78.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.533 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.74 74.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.403 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -73.23 -66.2 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.086 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' NE2' ' B' ' 37' ' ' GLN . 8.2 tp10 -91.49 124.21 35.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.993 0.425 . . . . 0.0 111.401 -172.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -83.69 151.48 25.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.43 -135.67 5.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.579 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.47 12.1 59.82 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.394 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.97 19.43 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.696 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' B' ' 92' ' ' THR . 19.0 m -62.96 158.22 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.808 0.337 . . . . 0.0 111.09 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 2.1 tm? -54.88 -51.15 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.007 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.36 -36.33 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' B' ' 89' ' ' SER . 10.1 m -62.73 -48.65 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.298 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 90' ' ' LEU . 2.0 ptmm? -73.06 -13.57 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.944 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -77.78 -48.73 15.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 109.845 173.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -64.39 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.805 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -55.54 -47.03 76.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.07 -43.74 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.09 75.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.589 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 7.2 t -67.85 -40.18 83.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.427 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -66.52 -37.53 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.158 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.07 -48.45 76.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.455 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.1 m -57.39 -40.24 77.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.917 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 18.6 t30 -56.72 -55.61 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.968 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.93 -38.35 56.1 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.8 m-85 -67.03 -34.22 77.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.091 0.472 . . . . 0.0 111.213 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -74.97 -23.19 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.871 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 76.4 mm-40 -84.38 -28.24 27.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -86.75 -66.25 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 111.645 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.8 t -106.01 -35.99 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.241 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.64 4.33 23.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.223 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.6 p -139.13 150.78 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -107.71 137.3 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.765 0.317 . . . . 0.0 110.743 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -80.69 116.38 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 47.7 tt0 -57.34 -56.84 29.69 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.321 -174.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.56 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 20.5 Cg_endo -60.2 -33.33 94.94 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.81 1.673 . . . . 0.0 112.269 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.596 ' O ' HG12 ' B' ' 120' ' ' ILE . 21.5 t80 -57.66 -55.93 28.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 42.4 mm -60.27 -38.4 77.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.937 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.6 -45.24 87.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 44.1 mm-40 -59.06 -41.56 88.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.526 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 116' ' ' PHE . 38.1 mm -60.89 -46.42 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 67.6 p -63.52 -36.21 83.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.747 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -67.46 -31.72 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.672 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 119' ' ' GLU . 96.4 mt -61.36 -50.37 73.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 110.384 175.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.37 -35.63 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.284 0.564 . . . . 0.0 110.15 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -76.13 -9.09 58.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.104 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 25.8 ptm -105.77 -45.34 4.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.036 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -63.97 -25.85 68.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.97 77.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.913 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.71 -19.17 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.534 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.79 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.01 25.37 75.45 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.163 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -79.47 10.3 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.724 0.773 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -97.19 -29.32 13.65 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.63 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -92.01 -44.47 8.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.831 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.8 m 40.59 38.97 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.387 1.054 . . . . 0.0 112.842 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.5 p 46.4 61.9 2.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.269 -173.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.315 -178.655 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -64.09 -46.99 81.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.806 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.9 98.24 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -82.73 -26.45 31.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.929 0.395 . . . . 0.0 111.014 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -87.98 97.4 10.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -115.13 -42.89 3.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 t -139.0 148.02 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.102 0.477 . . . . 0.0 111.136 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.581 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.9 p -154.25 158.51 32.39 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.904 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 30.5 Cg_endo -64.93 -7.48 15.28 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.359 2.039 . . . . 0.0 112.685 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 9' ' ' PRO . 13.3 p90 -127.64 16.19 6.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.558 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.581 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 15.0 t -75.06 -16.98 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.456 HD22 HG23 ' A' ' 11' ' ' THR . 12.0 p30 -150.8 150.83 29.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 50.5 Cg_exo -54.0 -37.34 86.17 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.954 2.436 . . . . 0.0 112.483 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.92 47.28 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.809 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.083 0.441 . . . . 0.0 110.728 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.31 98.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.212 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 12.3 pt-20 -79.48 -37.31 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.005 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -66.33 -29.7 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.35 -0.219 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -54.1 -44.49 71.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.191 0.52 . . . . 0.0 110.281 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.7 mtt -70.11 -43.34 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.591 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.617 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 39.3 m-80 -61.25 -52.37 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.919 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -65.92 -24.96 66.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.352 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.6 t80 -63.37 -51.37 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.487 176.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.5 mmm -66.25 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.104 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 75.4 mt-30 -62.47 -29.3 70.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.65 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.91 -34.23 6.04 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.478 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD22 ' CE2' ' A' ' 23' ' ' PHE . 39.7 tp -71.96 -27.6 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 111.015 -176.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -63.53 -19.87 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -107.35 18.88 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.9 mmt -103.48 148.01 35.08 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.363 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.13 165.78 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.498 2.132 . . . . 0.0 111.414 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.92 -49.67 1.4 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.9 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.15 130.63 38.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.769 0.318 . . . . 0.0 110.588 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.5 p -91.15 173.45 7.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.296 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.32 67.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 p -93.55 -30.11 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.895 0.855 . . . . 0.0 109.302 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 80' ' ' ILE . 5.5 tp-100 -69.0 -48.87 62.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.258 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.37 -36.78 78.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.145 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -80.19 -42.19 23.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.075 0.464 . . . . 0.0 110.093 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.7 ptm -76.34 -23.36 54.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.784 -176.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -62.02 -24.05 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.637 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' B' ' 65' ' ' LYS . 7.1 m -66.0 -40.86 91.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.132 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' A' ' 47' ' ' SER . 19.9 mt -65.09 -33.19 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -58.47 -41.05 84.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.797 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -12.1 39.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.303 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 24.4 p -89.12 -33.84 16.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.3 mmm -70.79 -37.88 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.577 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' ALA . 26.8 m -66.94 -32.68 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.532 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -68.17 -38.56 82.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.572 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m -58.18 -45.47 87.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.01 0.433 . . . . 0.0 110.105 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.86 -49.15 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.865 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.41 -39.15 86.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.83 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -61.23 -39.32 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.198 0.523 . . . . 0.0 110.201 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 67.5 mt -77.52 -35.16 53.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.064 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.18 95.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 0.0 110.69 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -26.84 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -98.61 4.36 48.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.376 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.95 84.27 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.556 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 18.7 mmm180 -100.02 -4.04 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.049 0.452 . . . . 0.0 110.11 -177.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 144.6 38.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.261 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.9 m -152.96 150.46 24.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.954 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.69 -43.43 51.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.017 2.478 . . . . 0.0 112.681 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -66.04 -48.25 71.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.128 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.41 -39.27 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.616 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.8 tt0 -58.04 -43.36 86.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.645 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.99 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.657 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.3 mt -105.56 -2.83 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.324 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -53.35 8.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.151 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 27.7 mtp -79.67 -24.15 42.0 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.887 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -53.12 -39.41 63.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -77.98 -41.19 36.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.442 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.23 -37.26 84.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 m -78.45 -34.15 47.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.614 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 3.5 p -70.92 -31.4 68.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.727 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.47 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 27.7 mmt -64.49 -35.72 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.17 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.26 -37.33 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.312 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 76.6 tt0 -59.61 -33.27 71.27 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.061 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 37' ' ' GLN . 14.2 mt -84.35 -44.34 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.37 90.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.949 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.11 61.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.64 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -81.44 -56.81 3.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 111.275 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -130.22 169.16 15.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.545 0.688 . . . . 0.0 112.363 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 11.0 pt-20 -161.29 -171.18 2.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.593 177.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 -33.68 0.25 Allowed Glycine 0 C--O 1.227 -0.292 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.9 14.42 57.37 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.62 179.09 41.75 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -103.62 -172.6 2.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.228 0.514 . . . . 0.0 110.845 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.44 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 59.2 tp -59.32 -38.84 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.044 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -71.55 -36.14 70.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.137 0.494 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -65.75 -50.81 63.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.153 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 85' ' ' GLU . 18.2 ptpt -61.41 -36.9 81.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -67.04 -42.89 84.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 t -63.01 -38.99 93.4 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.036 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.2 m -64.6 -47.64 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.305 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.44 -45.76 89.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.699 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.98 82.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 t -72.86 -25.05 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.294 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.86 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.501 ' SD ' HG13 ' A' ' 120' ' ' ILE . 39.0 mtt -69.79 -44.18 70.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 p -58.89 -38.44 78.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.438 0.637 . . . . 0.0 110.162 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.1 t30 -62.41 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.036 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.9 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.324 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.587 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 49.0 m-85 -62.69 -38.06 88.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 0.0 110.998 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.74 -24.84 59.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 80.1 mm-40 -76.87 -37.83 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 p -81.75 -78.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.154 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -94.18 -25.36 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.215 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.06 16.43 21.22 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.137 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -154.2 146.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -118.51 137.05 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.032 0.444 . . . . 0.0 111.234 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -88.26 120.45 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.942 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.508 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 35.5 tt0 -64.87 -51.21 58.6 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -174.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.1 Cg_exo -50.07 -41.69 48.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.006 1.804 . . . . 0.0 112.649 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 120' ' ' ILE . 23.6 t80 -53.39 -53.16 55.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.789 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.62 -31.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.871 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -68.41 -47.27 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 0.0 111.362 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.7 mm -60.54 -39.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.554 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.3 p -63.91 -34.37 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.284 0.564 . . . . 0.0 110.477 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -70.94 -38.44 72.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.32 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.24 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.92 -41.77 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.819 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -68.86 -49.91 54.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.132 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -63.88 -40.7 97.15 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -63.41 -35.37 80.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.675 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.19 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.725 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -74.49 -27.42 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.091 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.25 97.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.02 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.13 11.25 70.06 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.142 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -75.98 -3.71 37.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.681 0.753 . . . . 0.0 110.944 -177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -105.38 -27.29 11.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.583 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.68 -35.75 17.81 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.338 -175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.1 m 40.57 39.18 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.326 1.016 . . . . 0.0 112.924 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 p 51.84 27.27 4.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 112.649 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.885 -179.279 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -103.46 1.13 32.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.167 0.508 . . . . 0.0 110.598 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.21 131.23 2.04 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.74 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -93.53 -36.38 12.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -83.85 77.49 9.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.149 0.5 . . . . 0.0 110.45 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -127.78 -79.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.581 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -88.31 142.95 27.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.327 0.584 . . . . 0.0 110.695 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.485 ' O ' HG22 ' B' ' 11' ' ' THR . 1.7 p -152.12 158.32 33.77 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.662 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.46 -14.18 43.6 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.295 1.997 . . . . 0.0 112.091 176.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 31.9 p90 -120.29 19.02 12.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.485 HG22 ' O ' ' B' ' 8' ' ' THR . 10.3 t -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.698 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' B' ' 11' ' ' THR . 11.1 p30 -149.17 152.75 36.76 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.0 -31.31 92.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.85 2.367 . . . . 0.0 112.75 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -44.86 95.44 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.473 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.52 -33.69 62.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.5 -0.412 . . . . 0.0 110.639 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.91 94.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.29 -32.64 62.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.623 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.59 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -58.04 -44.12 87.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtt -76.19 -43.72 41.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.057 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 32.6 m-80 -63.21 -48.84 76.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.4 m -61.98 -29.58 70.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 111.102 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CE2' HD22 ' B' ' 27' ' ' LEU . 81.5 t80 -64.32 -52.24 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -65.19 -34.8 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.373 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 54.7 mt-30 -61.4 -33.52 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.172 0.51 . . . . 0.0 110.977 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -90.4 -27.26 20.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.401 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' B' ' 23' ' ' PHE . 32.9 tp -75.61 -26.61 57.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.8 p -63.38 -23.29 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.29 0.567 . . . . 0.0 110.655 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -102.69 24.37 10.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.461 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 21.9 mmt -114.26 138.89 23.2 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.803 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.66 133.54 11.63 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.425 2.083 . . . . 0.0 110.487 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . 0.557 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 141.64 -32.99 2.0 Favored Glycine 0 N--CA 1.439 -1.124 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.548 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -107.42 149.3 28.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.939 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.45 ' OG1' ' HB2' ' B' ' 37' ' ' GLN . 81.9 p -87.4 169.66 12.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.271 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -11.05 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.954 0.407 . . . . 0.0 111.197 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -97.45 -37.1 10.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.719 0.771 . . . . 0.0 109.036 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.45 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 0.4 OUTLIER -62.62 -51.64 66.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.571 -179.145 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -38.24 82.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.01 -44.19 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.192 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.87 -45.93 59.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.52 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 14.1 ptm -68.74 -27.42 65.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -33.94 71.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.566 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.5 m -66.58 -41.44 88.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.592 HD12 HD11 ' B' ' 80' ' ' ILE . 36.9 mt -70.53 -34.59 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.999 0.428 . . . . 0.0 110.434 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.1 91.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -12.25 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 48.2 p -87.21 -34.49 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.345 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.8 mmm -63.43 -43.82 96.36 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.274 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.38 -38.54 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.825 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -70.33 -34.94 73.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.816 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -61.81 -45.58 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.54 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.64 -34.82 76.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -66.92 -45.9 76.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.212 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -38.79 92.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.1 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.36 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.514 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -83.81 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.498 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 38.05 56.22 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.195 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -104.23 -7.67 19.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.14 140.5 50.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.221 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 m -153.35 161.08 30.04 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.06 -47.81 22.25 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.749 2.299 . . . . 0.0 112.406 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.188 0.518 . . . . 0.0 110.132 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HD2' ' HB ' ' A' ' 43' ' ' THR . 2.0 tppt? -59.07 -43.96 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.097 -175.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.08 -36.53 66.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.934 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.98 -45.7 80.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 4.33 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.403 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.21 9.47 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -59.06 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.405 176.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.439 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 22.6 mtp -78.2 -19.02 54.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.23 -38.86 69.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.19 0.519 . . . . 0.0 109.949 170.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' B' ' 77' ' ' MET . 84.0 t80 -76.85 -42.67 39.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.251 176.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' B' ' 71' ' ' MET . . . -60.65 -38.92 86.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.751 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.4 m -77.64 -38.39 48.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.529 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.9 p -66.47 -33.55 75.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.2 0.524 . . . . 0.0 110.905 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 28.9 mmt -71.24 -25.5 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.83 -43.93 34.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -65.89 -28.06 68.67 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.992 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.592 HD11 HD12 ' B' ' 44' ' ' ILE . 18.1 mt -73.82 -47.78 42.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 121.166 0.508 . . . . 0.0 110.251 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.04 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.034 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.14 -14.62 62.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.022 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t -72.59 -62.72 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.581 0.229 . . . . 0.0 111.252 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -120.23 153.35 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.348 0.594 . . . . 0.0 111.764 -175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.08 -165.29 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.09 -58.37 0.56 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.763 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.1 26.52 15.04 Favored Glycine 0 CA--C 1.503 -0.661 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.557 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.72 135.23 2.78 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.083 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 t -83.11 169.47 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.74 -42.93 94.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.895 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.6 t -69.12 -37.7 78.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.878 0.371 . . . . 0.0 110.16 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -54.96 39.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.965 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.489 ' O ' HG13 ' B' ' 97' ' ' ILE . 18.1 ptpt -63.22 -36.69 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.163 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 82.7 m -64.59 -45.82 85.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.993 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -62.99 -40.14 96.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.017 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 68.0 m -63.89 -45.59 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.485 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 93' ' ' LYS . 39.1 mt -57.36 -49.89 78.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.608 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.22 77.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.65 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -60.48 -45.4 93.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.59 84.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.958 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 45.6 mtt -66.4 -45.49 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.349 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.1 p -61.21 -29.56 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.256 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -70.66 -41.99 71.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.35 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.868 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 38.7 m-85 -63.09 -38.74 92.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.189 0.518 . . . . 0.0 111.208 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.73 -24.03 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.768 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.8 mm-40 -79.72 -34.57 39.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.4 p -83.0 -71.47 0.49 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.366 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.2 t -101.38 -21.03 14.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.408 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.98 5.99 49.54 Favored Glycine 0 CA--C 1.506 -0.477 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.72 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 14.5 p -141.71 150.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 3.3 p -119.85 128.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 0.0 111.368 -175.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -73.8 101.53 3.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.969 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.474 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.9 tt0 -56.94 -47.01 99.8 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.271 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 57.7 Cg_exo -54.46 -43.55 57.8 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.862 1.708 . . . . 0.0 112.114 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.467 ' O ' HG12 ' B' ' 120' ' ' ILE . 25.1 t80 -55.11 -53.39 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.627 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.92 -36.96 76.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.115 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -67.44 -38.14 84.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 40.2 mm-40 -64.21 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 110.96 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 116' ' ' PHE . 41.7 mm -62.07 -35.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 72.4 p -63.27 -26.21 68.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.041 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -79.16 -37.72 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.553 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 126' ' ' MET . 97.1 mt -57.64 -50.05 74.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.479 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.64 -31.97 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -83.17 -37.13 24.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.929 -176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' MET . . . . . 0.461 ' HA ' ' OE1' ' B' ' 129' ' ' GLN . 27.5 ptm -66.33 -46.61 76.26 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.337 -0.227 . . . . 0.0 111.266 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -62.44 -26.14 68.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.28 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.812 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' B' ' 126' ' ' MET . 29.9 mt-30 -83.58 -27.66 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.77 -44.84 88.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.73 72.9 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.122 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -76.76 1.91 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.274 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.616 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 7.7 p30 -103.48 -26.79 12.72 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -93.52 -51.17 5.08 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.824 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 33.6 m 41.18 27.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.725 1.21 . . . . 0.0 113.848 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.2 p 43.94 36.21 1.34 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.801 0.841 . . . . 0.0 112.519 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.747 -178.397 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.398 -0.281 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -128.66 150.4 50.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.469 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.24 70.26 1.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.467 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -86.25 82.94 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.598 0.237 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -62.11 109.01 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.149 0.5 . . . . 0.0 111.234 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -140.46 169.23 18.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.53 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -63.65 135.3 56.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.534 0.683 . . . . 0.0 110.593 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -157.48 166.85 15.71 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.465 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.29 -15.72 50.03 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.237 1.958 . . . . 0.0 112.217 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -122.0 21.53 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.078 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 HD22 ' A' ' 12' ' ' ASN . 9.2 t -67.9 -20.65 65.12 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.459 HD22 HG23 ' A' ' 11' ' ' THR . 11.8 p30 -157.75 157.15 29.54 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.6 Cg_exo -53.73 -32.16 64.42 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.132 2.555 . . . . 0.0 113.199 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.73 -0.89 35.2 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 113.411 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.03 -33.5 3.93 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.626 -0.337 . . . . 0.0 110.299 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.4 91.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.301 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -75.69 -36.66 59.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.858 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.34 -35.92 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.57 -57.66 10.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.022 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 21.1 ptp -73.1 -28.22 62.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.512 -173.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 21.0 m-80 -67.53 -43.61 80.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.771 0.32 . . . . 0.0 110.466 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -72.49 -23.77 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.38 -50.43 71.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.219 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.4 mmm -64.69 -30.08 71.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.176 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 84.6 mm-40 -59.97 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -22.86 52.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.499 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 33' ' ' PHE . 48.6 tp -77.47 -25.74 50.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.965 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.3 p -73.48 -1.89 20.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -120.82 15.54 11.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 mmt -90.6 129.96 42.96 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.87 -26.64 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.192 2.595 . . . . 0.0 113.454 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.33 -7.75 85.16 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.768 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 27' ' ' LEU . 14.2 m-85 -106.49 170.46 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.542 0.687 . . . . 0.0 112.488 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.3 p -116.79 154.4 30.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.919 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.18 66.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.349 . . . . 0.0 111.44 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -74.76 -50.35 17.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -66.27 -32.07 73.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.354 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.7 mt -61.77 -30.97 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.26 -47.26 71.23 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.261 0.553 . . . . 0.0 110.239 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.43 -50.75 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.254 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.53 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 11.3 ptm -71.37 -26.52 62.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.595 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -64.54 -32.18 73.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.283 0.563 . . . . 0.0 109.731 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.8 m -67.89 -39.32 83.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.486 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.95 -38.71 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.41 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.2 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.369 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -5.2 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 0.0 111.659 -178.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' B' ' 51' ' ' SER . 56.3 m -86.6 -38.42 17.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 86.4 mmm -67.08 -40.26 86.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.0 -32.12 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.71 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.37 -37.8 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 47' ' ' SER . 15.2 m -67.85 -41.6 82.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.489 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.37 -48.35 88.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -60.07 -43.22 95.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.44 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 m -63.1 -44.97 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.835 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.94 -34.03 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.893 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.83 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.66 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.186 0.517 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -83.44 -14.48 52.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.115 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.64 30.18 60.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.313 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -107.22 10.39 29.94 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.026 0.441 . . . . 0.0 110.587 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -80.31 135.07 36.14 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.527 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -132.47 156.02 80.58 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.89 -27.28 52.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.748 2.299 . . . . 0.0 111.69 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.62 -60.9 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.432 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.86 -30.31 66.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.631 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.31 -34.23 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 110.004 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.562 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.6 tt0 -80.37 -42.41 22.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.47 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -58.18 -38.09 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.227 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.97 -0.91 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 5.3 m-20 -86.96 -44.82 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.7 mmm -73.27 -40.11 64.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -55.27 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.715 175.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.6 t80 -78.64 -48.08 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.405 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.48 -33.43 69.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.976 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 123' ' ' LEU . 5.2 p -78.05 -39.01 43.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.748 -175.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 6.3 p -70.44 -29.26 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -69.06 -37.71 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.7 98.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.164 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 76' ' ' SER . 20.6 tt0 -54.29 -62.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.724 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.13 -36.16 55.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.571 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.85 20.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.62 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.54 63.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.353 -175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -63.84 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.66 132.16 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 111.72 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.65 -22.64 12.43 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.332 -171.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.85 46.85 0.22 Allowed Glycine 0 C--N 1.298 -1.556 0 CA-C-N 113.348 -1.751 . . . . 0.0 115.289 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.99 -53.0 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.91 -170.66 22.14 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 43.2 t -65.26 160.74 20.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.09 -36.72 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.686 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.0 m -64.41 -53.5 47.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.94 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 89' ' ' SER . 14.8 ptmt -61.78 -37.4 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -68.33 -45.62 72.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.075 0.464 . . . . 0.0 110.917 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -70.14 -23.43 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.7 m -61.08 -43.92 98.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.9 mt -67.35 -45.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.177 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.97 -44.27 82.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.515 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.11 77.31 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.354 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 mmt -65.4 -44.83 86.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -59.44 -38.95 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.031 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.82 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.552 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.624 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 47.1 m-85 -66.4 -31.73 72.67 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.085 0.469 . . . . 0.0 111.128 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.58 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.4 mm-40 -94.03 -14.64 25.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.947 0.403 . . . . 0.0 110.857 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 p -107.81 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.889 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -95.94 -31.97 12.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.387 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.16 15.73 22.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.7 p -150.85 148.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.9 t -97.0 132.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.156 -175.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -83.83 100.97 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 47.4 tt0 -61.69 -47.22 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 81.9 Cg_exo -48.3 -47.33 20.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.012 1.808 . . . . 0.0 112.398 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.2 t80 -51.87 -48.6 63.98 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.322 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.03 -30.18 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -82.1 -14.11 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.476 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.53 -34.96 19.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.894 0.378 . . . . 0.0 110.663 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.502 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.1 mm -62.93 -36.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.117 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 p -62.11 -35.31 78.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.011 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -70.08 -37.65 75.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 75' ' ' SER . 97.3 mt -61.6 -50.72 71.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.001 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -70.68 -25.21 62.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.738 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.1 ptm -90.34 -40.76 11.91 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.602 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.95 -17.87 64.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 111.551 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.07 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.679 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -78.16 -26.01 47.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.388 . . . . 0.0 110.868 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.883 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 60.72 47.21 92.35 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.3 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -78.0 8.75 4.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.59 0.71 . . . . 0.0 111.216 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.591 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.7 OUTLIER -96.82 -34.88 11.13 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.428 178.621 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.29 -46.46 17.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.107 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.9 m 37.91 36.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 124.543 1.152 . . . . 0.0 113.652 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.6 m 58.94 28.2 17.28 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.851 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.081 -179.522 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -158.8 -176.02 5.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.602 0.239 . . . . 0.0 110.446 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.0 62.1 1.07 Allowed Glycine 0 CA--C 1.504 -0.608 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.91 106.7 14.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.385 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -121.39 94.73 4.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.216 0.532 . . . . 0.0 111.004 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -123.57 168.87 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.443 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -63.36 137.07 58.04 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.624 0.726 . . . . 0.0 110.538 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.402 ' H ' ' HB ' ' B' ' 11' ' ' THR . 1.5 p -157.69 169.32 10.8 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.604 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.89 -9.21 18.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.379 2.053 . . . . 0.0 112.453 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -129.45 22.51 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.402 ' HB ' ' H ' ' B' ' 8' ' ' THR . 12.3 t -70.06 -17.3 63.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.075 -178.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -148.34 155.82 42.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.999 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 54.1 Cg_exo -55.43 -35.86 92.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.11 -52.85 44.19 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.341 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.41 -33.55 65.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.961 0.381 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.82 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 10.9 pt-20 -75.24 -38.85 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.298 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -56.39 -35.65 67.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.457 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -55.51 -56.84 15.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.01 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 19.8 ptp -73.3 -27.44 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 19.0 m-80 -65.83 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.517 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 m -72.24 -30.6 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.426 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 65.9 t80 -58.98 -49.73 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' MET . . . . . 0.454 ' HE1' ' HG3' ' B' ' 41' ' ' MET . 78.3 mmm -61.5 -32.42 72.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.348 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 72.5 mm-40 -62.64 -43.61 98.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.19 -31.86 41.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.77 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' B' ' 33' ' ' PHE . 48.0 tp -76.19 -19.66 58.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.702 -0.293 . . . . 0.0 111.377 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -61.28 -13.22 17.24 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -138.78 37.11 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 111.364 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.14 138.62 27.3 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.497 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.91 -25.69 67.12 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.4 2.734 . . . . 0.0 113.447 -173.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.46 2.2 88.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' B' ' 27' ' ' LEU . 28.2 m-85 -122.5 169.66 10.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -131.44 161.45 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.303 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -36.41 75.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.5 t -58.51 -42.82 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.27 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -74.18 -46.71 40.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.478 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' B' ' 33' ' ' PHE . 4.4 mm? -58.91 -40.32 84.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.588 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.56 -37.34 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.751 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -92.76 -37.74 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.203 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' B' ' 24' ' ' MET . 18.8 ptm -70.29 -22.98 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.2 t -64.32 -27.32 68.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.052 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 30.4 m -72.61 -32.05 65.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.846 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mt -66.8 -38.9 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.29 -57.43 6.83 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.277 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 43' ' ' THR . 1.7 pp0? -74.29 -5.82 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 -176.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 51' ' ' SER . 71.1 m -87.26 -35.93 18.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.56 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.464 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 83.5 mmm -69.07 -35.75 76.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -64.94 -29.71 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.476 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -69.45 -38.36 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.444 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 47' ' ' SER . 4.3 m -59.13 -47.66 84.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.229 0.537 . . . . 0.0 109.955 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.38 -51.9 67.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.31 -38.99 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.1 m -64.6 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.09 -36.16 77.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.71 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -42.34 82.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.4 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -96.1 -0.52 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.18 39.66 92.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.81 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -117.72 9.98 13.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -85.84 140.24 30.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.307 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 87.4 p -143.57 156.85 59.84 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.12 -30.08 69.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 111.874 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.63 -55.0 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.82 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -75.06 -21.58 58.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.42 -41.26 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.6 tt0 -63.5 -45.28 91.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.762 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.65 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.146 0.498 . . . . 0.0 111.278 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -9.11 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.566 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 4.5 m-20 -77.58 -44.43 28.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.0 -38.7 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.358 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.71 -32.77 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.112 0.482 . . . . 0.0 111.256 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.408 ' N ' ' HE2' ' B' ' 48' ' ' MET . 72.6 t80 -76.42 -44.63 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.073 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.457 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.32 -36.37 77.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -75.13 -37.64 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.186 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 3.8 t -69.5 -31.01 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.464 0.649 . . . . 0.0 110.445 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.478 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.5 mmt -76.01 -17.84 59.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.167 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.32 -38.02 31.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.95 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.7 pt-20 -67.53 -44.68 77.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.53 -38.06 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.306 0.574 . . . . 0.0 110.282 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.41 -53.32 19.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.971 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.08 -37.67 61.87 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -62.76 -73.71 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.573 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.67 131.51 35.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.1 -31.39 27.3 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.086 0.946 . . . . 0.0 110.781 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.08 -119.35 15.65 Favored Glycine 0 C--N 1.296 -1.684 0 CA-C-N 113.459 -1.7 . . . . 0.0 112.479 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.02 18.22 19.13 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.491 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.37 163.85 21.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.574 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 17.1 t -81.35 172.66 13.31 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.47 -39.89 89.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -69.78 -35.25 74.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.102 0.477 . . . . 0.0 110.55 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -64.75 -53.14 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.098 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 89' ' ' SER . 19.4 ptmt -63.96 -41.4 97.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.44 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 62.8 m -62.18 -45.51 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.611 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -70.15 -25.1 63.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.2 m -62.63 -44.03 97.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.612 0.244 . . . . 0.0 111.204 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.08 -46.18 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.2 71.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.116 0.484 . . . . 0.0 110.774 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 73.4 m -60.0 -55.14 37.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.291 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.751 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.11 -44.48 92.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 25.3 m -58.39 -39.58 80.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.941 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.4 t30 -65.86 -43.57 88.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.132 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.39 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.696 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.561 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.9 m-85 -68.41 -35.32 77.48 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.276 0.56 . . . . 0.0 110.949 177.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 102' ' ' SER . 96.5 mt -71.46 -24.93 62.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.721 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 72.4 mm-40 -83.62 -31.25 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.931 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.89 -71.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.677 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.434 HG23 ' H ' ' B' ' 111' ' ' VAL . 6.6 t -98.42 -30.93 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.304 -176.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.63 8.41 24.64 Favored Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.3 -0.953 . . . . 0.0 111.62 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.1 p -147.59 149.31 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.0 p -108.24 129.76 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.415 0.626 . . . . 0.0 111.918 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.475 ' O ' HG12 ' B' ' 117' ' ' ILE . 26.3 t-20 -79.1 122.15 25.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.222 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 97.9 mt-30 -70.39 -53.48 10.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -173.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 3.0 Cg_endo -45.32 -50.74 8.71 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.256 1.971 . . . . 0.0 112.707 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 120' ' ' ILE . 38.0 t80 -50.13 -51.77 40.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.655 0.597 . . . . 0.0 111.159 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 113' ' ' ASN . 33.2 mm -63.34 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.15 -4.57 53.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.463 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -93.8 -31.81 14.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 110.62 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' B' ' 116' ' ' PHE . 27.1 mm -64.65 -31.82 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 12.1 p -61.23 -29.06 69.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.328 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -81.01 -33.73 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.637 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.11 -55.14 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.354 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -30.05 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.0 0.429 . . . . 0.0 111.231 -176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 13.2 t -75.66 -37.45 59.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.48 -37.07 63.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -70.78 -15.79 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.37 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.499 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -74.82 -29.88 61.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.588 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.88 -66.83 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.593 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.94 43.06 99.7 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.829 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.87 0.53 10.83 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.562 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -102.94 -34.99 8.75 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.8 0.81 . . . . 0.0 109.775 -178.05 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.16 -48.98 7.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.88 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.0 m 38.1 35.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 124.663 1.227 . . . . 0.0 113.88 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 53.8 m 58.58 27.25 15.44 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.921 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.924 177.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -93.53 95.03 8.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.113 0.483 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.02 51.23 0.73 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -71.76 100.43 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.858 0.361 . . . . 0.0 110.385 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' B' ' 137' ' ' ALA . 50.7 m -69.82 114.36 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.429 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.441 ' NE2' ' HB1' ' B' ' 137' ' ' ALA . 26.2 p80 -123.3 -173.95 2.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.75 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -97.83 175.21 6.24 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.784 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 11' ' ' THR . 21.4 p -131.66 160.1 68.96 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.334 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.8 0.53 6.28 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.382 2.054 . . . . 0.0 112.694 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -126.75 20.69 7.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.717 0.294 . . . . 0.0 111.397 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.45 HG23 HD22 ' A' ' 12' ' ' ASN . 7.2 t -70.28 -32.35 70.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.192 0.52 . . . . 0.0 110.671 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.45 HD22 HG23 ' A' ' 11' ' ' THR . 11.9 p30 -143.83 153.61 57.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.642 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 73.6 Cg_exo -52.78 -33.53 60.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.084 2.522 . . . . 0.0 112.773 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -48.25 87.12 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.804 -177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.45 -31.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.664 -0.315 . . . . 0.0 110.556 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -71.29 -36.62 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.706 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.95 -40.74 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -54.13 -45.05 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.718 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.34 -42.52 71.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.529 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -63.29 -41.37 98.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.985 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -75.51 -10.37 59.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.321 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -91.99 -51.54 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.284 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.436 ' HE3' ' HB3' ' A' ' 24' ' ' MET . 86.9 mmm -59.36 -38.67 81.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -60.34 -36.78 78.79 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.38 -42.15 12.29 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.05 -31.82 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.27 . . . . 0.0 111.051 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -72.4 -2.86 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.028 0.442 . . . . 0.0 110.666 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -116.54 12.95 15.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -100.62 155.53 36.25 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.698 -177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.14 161.27 35.59 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.367 2.045 . . . . 0.0 111.409 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.531 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 92.8 -41.84 2.7 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.254 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.509 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 79.1 m-85 -93.33 156.09 17.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -130.46 167.38 18.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.617 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.1 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -69.68 -43.92 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.652 0.263 . . . . 0.0 110.712 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -70.59 -36.9 73.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 111.009 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 3.1 mm? -60.56 -36.97 79.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.58 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.19 -42.12 94.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.56 -37.48 73.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 0.0 110.176 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 ptm -83.93 -28.27 27.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.358 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -67.1 -29.08 68.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -39.66 90.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' ILE . 59.2 mt -72.11 -39.56 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.146 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.76 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -15.72 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.419 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -78.81 -39.44 35.62 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.441 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.8 mmm -60.99 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.642 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 m -61.83 -36.94 76.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.069 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.8 -29.33 55.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.871 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -66.5 -46.85 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.853 0.358 . . . . 0.0 110.109 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 48' ' ' MET . 66.3 mt -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -63.48 -32.18 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.457 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -70.27 -33.46 71.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.586 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' HG3' ' A' ' 60' ' ' ARG . 95.7 mt -68.37 -34.45 76.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 109.98 175.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.72 76.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.804 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.24 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.617 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.54 -38.84 74.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.921 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.21 5.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HG3' HD22 ' A' ' 55' ' ' LEU . 2.6 ptm180 -119.08 21.03 12.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.202 0.525 . . . . 0.0 110.626 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.0 128.47 33.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.933 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 m -130.08 149.42 73.17 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.84 -28.76 59.78 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.617 2.211 . . . . 0.0 111.318 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.48 -58.98 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.887 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 30.3 mtmm -71.22 -27.51 63.53 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.619 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.8 -31.7 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.281 0.563 . . . . 0.0 109.78 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.85 -39.71 21.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.065 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . . . -73.15 -3.68 28.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.027 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -115.11 13.14 16.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.494 0.664 . . . . 0.0 109.545 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -101.11 -48.91 4.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.942 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.592 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 93.6 mmm -74.37 -33.3 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.457 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.95 63.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.364 0.602 . . . . 0.0 110.994 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -68.71 -48.35 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.47 86.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.719 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 p -71.81 -45.23 62.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.957 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -59.38 -43.03 92.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.474 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -70.76 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.61 -46.08 23.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.638 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -70.96 -34.67 71.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.42 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -59.1 -44.59 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.245 0.545 . . . . 0.0 109.95 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.14 79.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.997 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.45 71.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.764 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.3 m -81.42 -57.79 3.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.846 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -120.04 161.41 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.425 0.631 . . . . 0.0 111.684 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -140.69 156.97 46.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.46 -13.31 38.79 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.433 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.28 -39.84 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.472 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.531 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -78.01 151.25 36.83 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.196 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -71.39 171.25 11.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 50.0 tp -58.95 -42.41 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.228 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -57.37 -41.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.185 0.516 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -64.24 -48.36 76.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.547 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' NZ ' ' HA ' ' A' ' 90' ' ' LEU . 36.0 mtmm -60.51 -47.95 83.92 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.006 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.3 m -55.04 -47.12 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.072 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 m -67.44 -38.63 84.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -57.51 -45.33 85.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.049 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 101' ' ' MET . 66.3 mt -65.44 -50.28 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.28 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.266 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -61.11 -45.54 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.547 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.23 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.018 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.9 mmt -61.94 -45.9 91.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.216 0.532 . . . . 0.0 110.049 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 p -73.11 -1.66 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.578 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.7 OUTLIER -115.16 -25.29 8.14 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.508 174.021 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.29 81.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.548 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 32.4 m-85 -61.1 -34.2 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.483 0.659 . . . . 0.0 110.54 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 106' ' ' LEU . 5.9 mp -78.06 -19.28 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.319 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 27.5 mm-40 -78.84 -30.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -94.88 -77.52 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.007 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 2.2 t -86.24 -28.05 24.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -176.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.56 9.0 51.43 Favored Glycine 0 CA--C 1.506 -0.529 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.321 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.1 p -146.6 148.08 17.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.198 -0.501 . . . . 0.0 109.685 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -124.15 140.25 48.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.79 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 14.8 t-20 -97.52 118.15 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.525 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 34.2 tt0 -61.04 -51.27 80.25 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -171.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.613 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 70.4 Cg_exo -52.27 -37.6 70.98 Favored 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.119 1.879 . . . . 0.0 112.658 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 17.6 t80 -55.61 -49.81 71.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.14 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.24 -31.94 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.671 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.74 -49.57 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.217 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' B' ' 130' ' ' ALA . 0.5 OUTLIER -60.9 -32.41 71.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.672 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 44.1 mm -61.74 -43.11 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.528 0.204 . . . . 0.0 111.242 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -62.94 -31.01 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.32 0.581 . . . . 0.0 110.782 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -74.74 -34.29 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 126' ' ' MET . 95.6 mt -60.71 -50.31 73.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 t -59.29 -38.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.7 t -73.38 -47.15 44.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 28.3 ptm -59.74 -40.88 89.59 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -173.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.54 -27.28 66.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.629 0.252 . . . . 0.0 111.243 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.0 66.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.412 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.37 -23.87 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.754 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.91 -49.58 8.37 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.363 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.11 88.41 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.246 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -82.46 9.77 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.855 0.836 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.5 -37.62 10.81 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.749 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.07 -37.8 45.79 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.631 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 135' ' ' VAL . 35.8 m 40.02 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 124.764 1.29 . . . . 0.0 112.109 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.6 m -70.0 66.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.799 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.921 178.439 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.16 0 N-CA-C 112.086 -0.406 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -135.9 161.39 35.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.27 104.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.866 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -96.95 116.6 29.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.655 0.74 . . . . 0.0 109.927 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -74.94 78.09 2.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.93 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -81.95 156.78 24.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.814 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -89.8 176.59 6.78 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.709 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 40.1 p -118.54 148.47 44.2 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.743 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 8' ' ' THR . 27.8 Cg_exo -63.23 -21.7 72.25 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.531 2.154 . . . . 0.0 112.588 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -105.31 18.6 22.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.411 HG23 HD22 ' B' ' 12' ' ' ASN . 13.0 t -69.58 -23.38 63.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.109 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.411 HD22 HG23 ' B' ' 11' ' ' THR . 11.3 p30 -139.99 148.48 55.09 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.83 -35.02 87.4 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.349 2.699 . . . . 0.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.2 20.95 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.542 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.51 -32.79 74.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.589 0.233 . . . . 0.0 110.683 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.39 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.564 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.7 -31.7 52.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.334 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.88 -38.05 84.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.5 -45.15 77.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.28 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mtt -67.74 -36.01 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.069 0.461 . . . . 0.0 110.352 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 5.0 m-20 -61.49 -51.11 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.738 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.9 m -63.28 -38.58 91.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.31 -51.16 70.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.356 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -62.03 -36.65 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.377 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 51.9 mt-30 -62.99 -43.32 99.11 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.178 0.513 . . . . 0.0 110.203 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -69.47 -43.62 68.41 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.217 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 t -73.66 7.72 2.29 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.086 0.469 . . . . 0.0 110.565 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -127.55 20.25 6.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.911 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 25.0 mmt -107.79 151.82 41.31 Favored Pre-proline 0 N--CA 1.456 -0.16 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.62 -177.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.82 167.22 22.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 111.796 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.68 -42.6 3.17 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.684 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -81.84 142.63 32.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.072 0.463 . . . . 0.0 111.225 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -99.17 151.47 20.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.24 70.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.832 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.48 -40.61 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.7 -36.15 71.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.3 -28.72 67.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.304 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.26 -43.61 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.496 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -72.11 -21.65 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.929 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -60.98 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.521 ' HB ' ' HD3' ' A' ' 65' ' ' LYS . 5.7 m -66.92 -38.84 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.679 0.276 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' B' ' 80' ' ' ILE . 33.8 mt -68.46 -31.96 53.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.203 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.22 97.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.935 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 -12.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.1 p -89.41 -33.11 16.96 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.537 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.511 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 74.5 mmm -66.7 -43.38 84.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.645 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.86 -40.97 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -64.26 -38.46 91.13 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.972 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 50.5 m -60.24 -49.61 76.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.53 -52.4 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.466 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.9 -34.7 77.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.58 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.5 m -72.74 -37.26 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 110.532 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 51' ' ' SER . 88.9 mt -65.01 -34.17 77.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.67 64.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.0 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.14 92.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -75.12 -24.25 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.249 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 54.12 2.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.412 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 29.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 127.11 33.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.978 0.418 . . . . 0.0 110.936 176.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 m -124.6 155.08 69.9 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.83 -39.25 90.85 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.737 2.291 . . . . 0.0 111.84 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.84 -56.12 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.48 -30.76 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 mt -69.29 -36.01 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 110.347 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -73.84 -42.58 60.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.083 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.638 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -60.5 -41.96 95.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.267 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.02 3.93 21.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.202 0.525 . . . . 0.0 110.346 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -92.4 -48.43 6.66 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.474 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 87.8 mmm -71.69 -36.09 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.712 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.52 -52.88 43.24 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.139 0.275 . . . . 0.0 111.082 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.511 ' N ' ' HE2' ' B' ' 48' ' ' MET . 75.5 t80 -57.07 -46.14 82.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.994 0.426 . . . . 0.0 110.689 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.558 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -39.43 91.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.205 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -72.76 -38.05 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.522 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.498 ' O ' HG13 ' B' ' 80' ' ' ILE . 18.3 m -62.61 -38.05 88.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.151 0.501 . . . . 0.0 110.802 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 28.8 mmt -72.78 -24.8 60.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.038 0.447 . . . . 0.0 110.438 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.28 37.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.806 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 9.3 pt-20 -64.55 -37.46 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' B' ' 44' ' ' ILE . 21.8 mt -62.49 -40.39 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.8 57.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.505 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.95 82.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.987 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -71.08 -56.78 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.0 120.13 41.23 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.827 0.822 . . . . 0.0 111.22 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.58 158.28 31.29 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.587 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.71 -40.39 0.5 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.201 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.89 -35.88 0.37 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.102 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.58 151.33 23.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.224 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 m -57.16 150.77 16.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.748 0.274 . . . . 0.0 110.671 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' HZ3' ' B' ' 93' ' ' LYS . 53.7 tp -58.34 -43.61 88.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.457 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m -56.09 -34.65 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -67.97 -50.03 58.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.435 ' HZ3' ' HA ' ' B' ' 90' ' ' LEU . 36.7 mtmm -60.18 -46.86 88.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.148 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -53.93 -42.19 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -70.91 -37.89 72.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.4 m -60.04 -44.14 94.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 101' ' ' MET . 56.2 mt -64.68 -48.19 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.595 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.55 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 18.5 t -60.48 -46.99 88.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.622 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -64.93 -32.52 74.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.36 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.1 mmt -65.56 -49.21 69.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.086 0.47 . . . . 0.0 110.187 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 8.4 p -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -175.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.622 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.2 p-10 -79.77 -24.53 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.365 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.75 73.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.142 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.4 m-85 -63.6 -32.37 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.335 0.588 . . . . 0.0 110.399 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.62 -12.27 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.959 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -92.02 -33.45 14.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.442 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -89.19 -70.31 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.928 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 13.2 p -84.88 -37.8 20.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.055 0.455 . . . . 0.0 111.052 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.62 -0.34 34.45 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.0 p -142.34 149.65 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -106.46 124.39 61.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.337 0.589 . . . . 0.0 111.559 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -74.34 101.31 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.045 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 33.0 tt0 -56.81 -49.76 91.98 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -173.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 13.5 Cg_endo -58.34 -7.75 4.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.497 2.131 . . . . 0.0 113.572 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.658 ' O ' HG12 ' B' ' 120' ' ' ILE . 56.7 t80 -84.89 -46.24 11.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.0 mm -66.47 -37.83 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.051 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.32 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.064 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.62 -31.13 69.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.488 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.8 mm -62.44 -45.09 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.488 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 41.5 p -60.64 -35.52 76.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 0.0 110.824 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -70.07 -41.25 74.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.559 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.9 -56.33 23.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.305 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.37 -34.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 25.1 m -76.5 -56.5 4.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.359 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -56.25 -33.79 65.77 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.83 -20.51 66.27 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.11 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.236 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.88 -24.41 41.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.048 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 119' ' ' GLU . . . -61.31 -51.58 68.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.29 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.86 27.89 73.16 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.962 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -85.26 20.49 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.925 0.869 . . . . 0.0 110.552 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.14 -39.43 4.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.958 -1.473 . . . . 0.0 109.566 -178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.95 -59.86 2.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.446 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 135' ' ' VAL . 33.2 m 24.17 84.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 125.079 1.487 . . . . 0.0 113.898 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 41.1 m -72.69 62.03 0.55 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.463 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.453 ' C ' ' HA ' ' A' ' 5' ' ' SER . . . . . . . . 0 C--O 1.252 1.187 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.752 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -88.24 100.23 12.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.921 0.391 . . . . 0.0 110.072 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.92 109.37 2.84 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.724 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -116.5 50.28 1.07 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -60.16 98.49 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.463 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -83.82 -32.19 25.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.701 -174.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 t -171.85 161.0 5.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.315 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 11' ' ' THR . 10.4 p -146.53 157.7 47.89 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.66 -12.41 31.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.511 2.141 . . . . 0.0 112.583 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -121.21 17.56 11.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 8' ' ' THR . 14.8 t -85.45 -14.59 45.65 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.58 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -137.15 136.5 20.97 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.229 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 69.7 Cg_exo -52.66 -41.6 67.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.371 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.78 78.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.386 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.69 -39.8 94.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.595 -0.356 . . . . 0.0 110.641 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.04 90.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.245 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.7 pt-20 -74.98 -28.68 60.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.711 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -69.36 -32.38 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.051 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.74 -33.23 66.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.6 mmt -69.08 -53.44 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -73.7 -26.23 60.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 m -72.08 -19.26 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 110.359 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CE2' HD22 ' A' ' 27' ' ' LEU . 57.7 t80 -84.29 -52.49 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.918 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.7 mmm -60.3 -34.94 74.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.327 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.39 -27.91 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.692 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -35.91 9.94 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 23' ' ' PHE . 23.8 tp -65.91 -32.38 73.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.77 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -66.06 -13.48 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -96.69 1.22 50.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.261 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -97.86 140.14 21.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.143 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.74 -27.5 18.09 Favored 'Trans proline' 0 N--CA 1.471 0.156 0 C-N-CA 122.88 2.387 . . . . 0.0 113.059 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.56 73.03 Favored Glycine 0 CA--C 1.517 0.171 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.21 -172.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -106.97 141.31 38.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.29 0.567 . . . . 0.0 111.801 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.4 p -102.98 173.42 6.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.17 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.51 74.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -60.13 -46.46 89.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.408 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.79 -45.42 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.671 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.03 -39.63 94.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.968 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.6 -46.57 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 109.786 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.404 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 9.5 ptm -78.21 -24.89 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.167 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -64.98 -21.4 66.84 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 m -63.73 -43.69 95.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.0 mt -75.92 -34.06 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.227 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.98 61.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 5.0 pt20 -80.15 -21.79 42.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.074 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.7 t -65.06 -42.78 93.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 52' ' ' ILE . 89.3 mmm -62.8 -47.78 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.723 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.8 m -63.94 -38.21 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.46 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -71.49 -33.84 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -66.91 -42.17 85.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.975 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 48' ' ' MET . 77.0 mt -57.43 -50.08 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.035 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.612 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.14 -36.64 82.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.417 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -66.59 -34.84 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.976 0.417 . . . . 0.0 110.577 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.84 -33.83 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.806 0.336 . . . . 0.0 110.376 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.25 84.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.184 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.12 77.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.252 0.548 . . . . 0.0 110.731 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.53 -17.57 56.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.27 29.61 52.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.248 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 60' ' ' ARG . 7.1 ptm180 -113.06 21.9 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.482 0.658 . . . . 0.0 110.484 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -92.95 118.24 30.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.898 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 m -118.03 162.37 29.87 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.35 -44.51 48.37 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.302 2.001 . . . . 0.0 111.852 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -73.02 -25.78 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.894 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 8.9 tppt? -69.79 -47.73 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 0.0 109.685 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 mt -68.39 -36.78 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.742 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' B' ' 133' ' ' ASN . 34.1 tt0 -54.93 -49.38 71.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.754 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -59.98 -35.84 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.298 0.57 . . . . 0.0 110.689 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.08 -4.92 46.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.448 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.8 m-20 -84.87 -47.42 10.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.512 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 92.6 mmm -79.19 -30.15 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -60.01 -34.83 73.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.88 171.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -72.07 -44.36 63.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.936 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -66.32 -51.21 59.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.65 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.6 p -61.4 -39.31 90.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.974 0.416 . . . . 0.0 111.282 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.516 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 29.2 mmt -69.34 -30.75 68.85 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.449 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.58 -44.58 50.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.51 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 7.7 pt-20 -67.53 -32.71 73.69 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.379 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 76' ' ' SER . 17.1 mt -67.74 -48.38 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.974 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.01 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.832 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.487 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -75.68 -77.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.231 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 170.4 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 111.87 -173.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.61 -154.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.266 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.0 -26.49 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.76 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.83 -1.04 42.49 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.984 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 180.0 179.13 48.8 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.056 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.6 m -85.57 -175.72 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.577 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 50.9 tp -54.0 -42.54 69.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -70.32 -37.61 74.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.088 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -63.67 -53.53 49.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.324 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.3 pttt -68.41 -31.14 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 m -67.64 -47.53 69.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.638 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 m -65.76 -28.73 69.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -61.99 -43.94 97.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.619 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.98 -42.41 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.99 81.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.729 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -68.12 -42.06 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.648 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.62 -36.39 83.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 mmt -64.77 -35.37 80.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.029 0.442 . . . . 0.0 110.031 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -67.28 -51.85 47.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.835 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.648 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.5 p-10 -66.71 -27.84 67.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.007 -173.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.18 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.483 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.551 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 18.1 m-85 -71.01 -35.16 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 110.85 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 106' ' ' LEU . 6.6 mp -74.35 -16.93 60.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 74.8 mm-40 -89.14 -27.35 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.601 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -96.99 -32.12 12.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.921 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.43 25.97 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.718 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.7 p -155.75 153.76 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.615 0.245 . . . . 0.0 110.371 -177.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.8 p -121.71 137.39 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -75.74 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.511 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 50.1 tt0 -179.58 -57.96 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 119.308 -0.377 . . . . 0.0 111.5 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 26.9 Cg_exo -60.98 -26.71 83.64 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 121.947 1.765 . . . . 0.0 112.585 -170.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.07 -43.17 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 109.751 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.7 mm -70.65 -30.98 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 115' ' ' PRO . 16.8 m120 -62.55 -46.05 90.15 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.6 mm-40 -60.0 -41.38 91.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.0 mm -59.1 -44.45 91.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.0 p -67.35 -28.41 67.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -73.08 -41.49 64.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.305 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -60.09 -53.7 54.67 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.86 -35.79 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.248 0.546 . . . . 0.0 110.595 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -70.53 -47.89 58.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.291 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ptm -66.92 -39.0 87.25 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.55 -23.08 67.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 111.272 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.32 98.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -79.08 -29.15 43.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.792 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.54 69.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.799 175.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.35 23.79 64.89 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.247 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -82.39 4.03 25.65 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.064 0.935 . . . . 0.0 110.328 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.438 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.5 OUTLIER -92.33 -42.32 9.87 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.123 175.057 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.87 -35.07 13.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.8 m 43.88 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.585 1.154 . . . . 0.0 113.448 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 m -70.85 52.63 0.15 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.771 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.491 -177.539 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -138.94 143.92 38.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.6 62.4 4.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.126 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -121.05 94.4 4.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 31.9 t -108.27 130.94 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.436 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.471 ' O ' ' HB ' ' B' ' 7' ' ' THR . 67.8 t60 -101.41 -56.75 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 6' ' ' HIS . 5.0 t 177.22 164.45 0.54 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.317 173.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -120.04 159.2 48.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.349 0.119 . . . . 0.0 110.801 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.86 -15.36 46.92 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.478 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -116.77 22.85 12.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.676 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' B' ' 12' ' ' ASN . 9.0 t -68.26 -27.1 66.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.477 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' B' ' 11' ' ' THR . 12.3 p30 -145.97 153.63 49.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.74 -35.0 67.24 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.09 2.527 . . . . 0.0 113.042 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.19 -51.25 60.32 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.794 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.6 -32.29 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.504 -0.409 . . . . 0.0 110.637 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.95 77.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.224 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.41 -27.26 63.18 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 110.828 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -65.68 -38.71 90.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.96 -38.15 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.66 -56.07 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -72.67 -29.78 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.243 -174.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.438 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 35.6 t -68.7 -25.9 65.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.399 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -75.23 -51.38 13.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.958 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.4 mmm -61.57 -36.16 79.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.142 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -71.42 -27.13 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.41 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.21 -35.8 14.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.36 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.41 -29.08 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.644 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' B' ' 38' ' ' LEU . 20.4 t -69.51 3.96 2.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.903 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -119.99 9.07 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.355 0.598 . . . . 0.0 109.93 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -95.85 141.01 22.57 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.3 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.83 -23.81 30.06 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.677 2.251 . . . . 0.0 112.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.94 70.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.21 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -126.16 133.31 51.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.0 0.428 . . . . 0.0 111.02 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.422 HG23 ' HA3' ' B' ' 86' ' ' GLY . 24.3 p -99.06 170.27 8.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.33 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.338 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -73.89 -37.53 64.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -74.86 -40.59 60.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.436 0.636 . . . . 0.0 110.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' B' ' 28' ' ' SER . 76.8 mt -65.49 -24.62 67.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.436 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -35.86 81.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.821 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.48 -42.0 13.11 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.803 -174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 12.4 ptm -71.14 -22.85 62.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -64.79 -12.41 47.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.2 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.5 m -74.88 -17.65 60.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.672 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 50.9 mt -96.36 -26.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.4 0.619 . . . . 0.0 109.923 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.21 -56.3 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.345 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.26 0.16 45.14 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 5.5 p -86.89 -42.14 13.45 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.294 173.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mmm -59.04 -38.56 79.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -66.2 -34.32 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -74.69 -36.06 62.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.494 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 14.1 m -61.46 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.09 -48.35 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.771 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.88 -37.42 79.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.258 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -34.32 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' B' ' 60' ' ' ARG . 97.1 mt -70.74 -36.13 73.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 110.46 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -39.14 70.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.034 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.5 -29.22 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLN . . . . . 0.457 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 49.8 mt-30 -87.75 -31.45 19.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.317 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.6 31.69 5.4 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.583 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.457 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -112.85 17.54 18.9 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.133 0.492 . . . . 0.0 110.566 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.415 HG22 HD21 ' B' ' 66' ' ' LEU . 0.8 OUTLIER -77.21 123.12 25.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.121 178.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 37.8 p -138.57 164.72 37.99 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 11.2 Cg_endo -53.34 -36.35 78.36 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.162 1.908 . . . . 0.0 111.849 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.83 -42.41 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -61.3 -44.77 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.834 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.415 HD21 HG22 ' B' ' 61' ' ' THR . 93.0 mt -69.17 -39.43 78.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 34.5 tt0 -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.145 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.69 0.18 9.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.826 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -111.65 11.6 21.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.171 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -84.89 -54.21 4.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.325 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.51 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 91.7 mmm -75.97 -29.6 58.31 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.08 -31.21 61.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.89 0.376 . . . . 0.0 111.186 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -83.19 -44.81 14.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.95 -37.78 83.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -77.56 -35.0 53.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.608 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.5 p -71.53 -33.02 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 0.0 110.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.551 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.6 mmt -71.26 -25.75 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 -43.9 50.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.068 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.637 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 14.9 pt-20 -66.06 -39.85 90.43 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 76' ' ' SER . 20.3 mt -61.46 -39.98 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.491 0.662 . . . . 0.0 109.285 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.507 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -72.0 -40.65 68.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.311 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.08 38.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.921 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -105.41 -68.08 0.88 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 110.793 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.91 163.85 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.326 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.613 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 7.9 pt-20 -155.68 164.77 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.067 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -99.07 -99.02 2.16 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.114 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.03 11.05 29.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.096 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.41 142.83 14.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.9 m -78.72 -172.38 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.238 0.215 . . . . 0.0 111.124 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.551 ' HA ' ' CD ' ' B' ' 93' ' ' LYS . 49.0 tp -56.97 -35.09 68.75 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.738 0.304 . . . . 0.0 111.785 -175.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -77.16 -20.36 55.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.056 0.455 . . . . 0.0 110.935 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.5 m -89.65 -50.63 5.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.369 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.613 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 14.7 ptmt -60.34 -39.24 86.42 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.606 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -64.91 -43.61 92.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.221 0.534 . . . . 0.0 110.705 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -67.59 -35.19 78.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.659 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -58.06 -48.46 80.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.171 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mt -67.46 -40.26 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.0 83.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.337 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -77.09 -22.73 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.04 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -87.62 -32.25 19.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.303 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.7 mmt -67.56 -39.08 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.191 0.52 . . . . 0.0 110.257 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.2 p -69.32 -48.88 60.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.56 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.3 p-10 -65.27 -22.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.162 -173.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.49 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -73.05 -33.16 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.804 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.425 HD11 HG12 ' B' ' 112' ' ' VAL . 6.9 mp -75.04 2.72 9.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 75.6 mm-40 -99.24 -47.67 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.286 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -78.95 -66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.173 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 11.5 p -82.85 -38.56 22.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.47 8.53 40.45 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.81 148.64 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.764 -0.718 . . . . 0.0 109.753 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.425 HG12 HD11 ' B' ' 106' ' ' LEU . 2.2 p -111.29 132.58 59.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.778 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.38 -91.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.867 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 38.7 tt0 178.99 -60.28 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 21.0 Cg_exo -65.26 -34.81 43.63 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.824 1.682 . . . . 0.0 112.842 -171.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.585 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.8 t80 -54.01 -50.07 67.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.341 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.56 -33.29 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.727 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -67.45 -33.47 75.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 27.0 mm-40 -73.9 -36.24 64.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.832 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 116' ' ' PHE . 33.7 mm -60.35 -44.83 96.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.3 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -62.17 -36.82 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.793 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -67.7 -40.91 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.596 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.8 mt -60.85 -53.72 53.83 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.441 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 120' ' ' ILE . 40.0 t -59.58 -34.18 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.17 0.51 . . . . 0.0 110.806 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 20.5 t -85.63 -20.45 29.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.972 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.5 ptm -83.55 -45.06 13.97 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.316 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -63.08 -17.37 62.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.072 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.72 99.76 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.461 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -74.84 -34.11 62.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.628 0.251 . . . . 0.0 110.599 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.27 -52.56 64.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.038 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.06 22.11 64.53 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.05 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -79.76 -1.03 36.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.856 0.836 . . . . 0.0 110.586 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.507 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 0.6 OUTLIER -89.94 -37.1 14.6 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.791 171.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.55 -28.62 26.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.092 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' B' ' 137' ' ' ALA . 34.2 m 49.28 95.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.864 1.265 . . . . 0.0 113.495 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 p -79.96 33.1 0.27 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.829 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.244 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -153.44 171.16 19.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.6 13.34 67.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -92.49 85.63 5.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.383 . . . . 0.0 110.259 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -88.73 170.08 11.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.798 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.36 -173.77 2.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -74.28 136.24 42.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p -156.1 153.46 25.56 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.425 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.82 -15.3 46.84 Favored 'Trans proline' 0 C--N 1.34 0.086 0 C-N-CA 122.264 1.976 . . . . 0.0 112.597 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -117.44 14.69 14.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 8' ' ' THR . 13.3 t -82.95 -23.03 33.61 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.03 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -128.97 132.07 24.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.21 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -40.37 80.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 111.782 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ASN . . . -58.92 -35.19 81.93 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.983 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.55 -41.83 23.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.751 0.276 . . . . 0.0 110.462 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.72 81.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.677 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -32.73 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 111.34 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -73.4 -26.04 60.81 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.099 0.476 . . . . 0.0 110.266 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.26 -42.93 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.985 174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.2 mtt -76.64 -42.14 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -58.96 -44.59 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.395 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 p -74.75 -33.44 62.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -58.28 -48.47 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mmm -59.3 -36.68 76.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.494 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -68.31 -29.4 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.297 0.57 . . . . 0.0 111.181 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.77 -30.12 24.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.051 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -78.54 -28.4 46.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' A' ' 38' ' ' LEU . 52.4 p -64.04 -21.81 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -104.17 23.95 12.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.563 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 mmt -103.24 135.61 19.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.78 -13.38 32.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.032 2.488 . . . . 0.0 112.452 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.45 -37.1 94.29 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.111 -0.95 . . . . 0.0 113.124 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -109.03 172.07 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.902 -173.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.7 p -110.07 162.51 14.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.539 173.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.51 66.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.646 ' NE2' ' HB2' ' A' ' 84' ' ' GLU . 46.9 mt-30 -69.93 -44.13 70.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.252 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 28' ' ' SER . 4.5 mm? -59.2 -33.35 70.86 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.764 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.95 -32.15 68.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 29.7 t70 -81.48 -46.93 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.728 0.299 . . . . 0.0 110.877 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 10.2 ptp -69.24 -22.02 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.188 -178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 t -59.38 -32.62 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.028 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -63.95 -40.63 96.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.59 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -70.29 -42.11 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.233 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.74 48.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.102 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.55 ' HA ' HG22 ' A' ' 49' ' ' VAL . 2.0 pt20 -77.24 -23.86 51.23 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.483 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -66.64 -40.48 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.133 0.492 . . . . 0.0 109.894 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.4 mmm -69.95 -38.87 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.983 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.0 m -72.19 -35.15 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.314 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -69.23 -36.1 76.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.68 0.276 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -72.19 -38.47 69.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.709 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' MET . 68.1 mt -59.75 -47.54 90.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 110.449 174.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.44 -39.43 83.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.763 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -46.05 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.27 -32.97 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.097 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.3 92.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 0.0 110.441 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.88 65.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.058 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 93.3 mt-30 -82.5 -5.41 58.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.272 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.98 41.91 70.31 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.921 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 14.0 mmm180 -111.26 -3.35 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.062 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -83.52 124.7 31.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.601 0.715 . . . . 0.0 112.556 -172.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.505 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 32.8 m -153.09 162.29 26.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 175.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 3.3 Cg_endo -45.57 -52.59 6.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.173 2.582 . . . . 0.0 113.279 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.69 -30.46 71.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.2 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 26.4 mmmt -73.06 -43.79 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.24 0.543 . . . . 0.0 110.321 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.63 -31.65 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.209 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.29 -45.02 88.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.467 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.523 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -72.21 -3.64 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.614 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 69' ' ' LEU . 25.7 mt -112.39 3.18 16.79 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.535 0.683 . . . . 0.0 109.307 174.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.1 -48.31 8.18 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.527 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 96.7 mmm -72.84 -31.94 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.223 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.95 -35.2 68.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.0 111.163 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.1 t80 -77.87 -43.62 29.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -63.18 -30.69 71.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.707 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 p -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.314 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.644 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 p -68.61 -23.93 64.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.247 0.546 . . . . 0.0 111.428 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.496 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 28.9 mmt -77.37 -21.58 53.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.153 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.7 -40.07 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.644 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 11.2 pt-20 -65.24 -38.9 91.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.681 0.277 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' SER . 19.5 mt -66.2 -42.09 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.41 0.624 . . . . 0.0 109.911 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 93' ' ' LYS . . . -63.24 -39.28 94.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.283 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.16 9.09 15.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.517 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -105.37 -69.76 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.682 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.646 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 15.6 mp0 -84.58 151.28 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.934 0.873 . . . . 0.0 111.912 -174.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 10.1 pt-20 -93.25 -151.33 0.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.796 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.65 -138.02 7.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.129 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.95 -13.02 59.67 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.36 123.02 5.89 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -69.36 176.91 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.35 0.26 . . . . 0.0 111.113 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 58.4 tp -55.41 -40.33 71.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.937 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -63.81 -39.57 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.67 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -70.86 -31.13 67.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.234 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 37' ' ' GLN . 41.2 mmtm -59.66 -43.81 93.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.345 0.593 . . . . 0.0 109.971 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.47 65.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.063 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.3 m -62.69 -38.36 90.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.912 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 p -68.22 -45.38 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.043 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.4 mt -62.23 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.593 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.41 -43.71 71.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.92 0.391 . . . . 0.0 111.125 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.65 -51.14 69.7 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.03 64.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.562 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.2 -46.99 84.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.049 0.452 . . . . 0.0 109.968 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -36.63 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.133 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -63.92 -42.9 97.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.082 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -36.29 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -63.57 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.289 0.566 . . . . 0.0 110.622 174.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.07 -8.38 56.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.016 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -98.1 -27.56 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -90.69 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.766 0.317 . . . . 0.0 111.705 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 p -94.74 -49.2 5.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.036 0.446 . . . . 0.0 111.092 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.12 -1.98 9.07 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -137.92 149.27 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.26 142.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.915 0.388 . . . . 0.0 110.959 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -101.82 112.97 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.66 -48.99 91.72 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.34 -46.5 19.76 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.098 1.865 . . . . 0.0 112.509 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.0 -53.04 62.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.51 -38.97 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.96 -40.93 95.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.437 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.86 -29.73 70.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.402 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 35.8 mm -65.57 -34.1 68.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.9 p -64.44 -33.44 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -69.57 -31.62 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.496 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.94 -48.9 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.8 t -62.17 -35.87 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -73.02 -41.29 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.582 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -71.92 -38.21 69.91 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.642 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.22 -12.91 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.713 0.292 . . . . 0.0 111.161 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.03 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -76.66 -32.72 58.14 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.414 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.67 -59.14 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.457 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.61 61.39 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.161 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -82.12 9.52 8.42 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.483 0.659 . . . . 0.0 111.408 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.437 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.5 OUTLIER -99.57 -42.32 6.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.834 177.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.95 -49.77 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.027 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 30.7 m 40.36 31.07 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.529 1.132 . . . . 0.0 113.982 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.3 m 56.25 28.23 12.95 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.212 0.529 . . . . 0.0 111.752 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.543 179.722 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -170.19 170.53 7.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.55 42.83 3.14 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.359 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -92.83 85.24 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.102 0.477 . . . . 0.0 110.225 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -63.92 138.21 58.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -80.69 170.95 15.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.539 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -59.23 137.54 57.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.71 0.767 . . . . 0.0 111.833 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.623 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.1 p -154.68 162.32 27.36 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.886 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.9 -12.92 36.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.306 2.004 . . . . 0.0 112.792 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -126.7 17.29 7.46 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.623 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 11.5 t -79.53 -26.44 41.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.753 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.561 ' HB2' HD23 ' B' ' 15' ' ' LEU . 88.4 m-20 -134.46 151.3 75.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.416 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 12' ' ' ASN . 13.2 Cg_exo -70.85 7.96 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.813 2.342 . . . . 0.0 111.79 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.85 -2.04 32.14 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.8 mm? -118.78 -31.29 4.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.05 88.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.133 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -28.41 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.994 0.425 . . . . 0.0 110.752 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.16 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.429 173.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.09 -47.64 84.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.859 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 14.1 mmt -58.68 -51.48 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.432 0.634 . . . . 0.0 110.675 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 47.6 m-80 -62.98 -46.83 85.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.154 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.8 m -60.95 -31.18 70.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.861 0.363 . . . . 0.0 111.001 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -70.07 -52.05 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.7 -35.8 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.639 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 98.0 mt-30 -64.19 -28.59 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.254 0.549 . . . . 0.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.89 -23.22 30.88 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.323 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' B' ' 33' ' ' PHE . 49.6 tp -82.31 -29.88 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 0.0 111.205 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -74.12 5.23 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.914 0.387 . . . . 0.0 111.838 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -120.86 12.61 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.094 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mmt -95.4 132.75 27.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.11 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.59 -19.5 32.1 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.229 2.619 . . . . 0.0 113.459 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -20.31 73.8 Favored Glycine 0 C--N 1.32 -0.328 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.347 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.4 ' CE1' HD11 ' B' ' 27' ' ' LEU . 26.0 m-85 -106.0 174.13 6.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p -116.58 168.99 9.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.07 85.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -63.99 -41.56 97.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.18 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.31 -47.75 63.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.277 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.09 -36.31 74.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.023 0.439 . . . . 0.0 110.677 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.48 -44.34 91.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.587 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.35 -51.05 16.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.332 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 10.6 ptm -71.07 -21.18 62.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.7 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -64.85 -19.35 65.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.998 0.427 . . . . 0.0 110.292 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 43.3 m -72.82 -40.88 65.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mt -72.14 -32.93 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.266 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.427 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -51.94 -51.93 53.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.069 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' B' ' 49' ' ' VAL . 5.7 pt20 -78.54 -22.56 47.1 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.454 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -65.48 -40.95 93.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 0.0 109.957 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.429 ' O ' HG13 ' B' ' 52' ' ' ILE . 94.7 mmm -73.13 -27.11 61.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.401 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 10.6 m -81.77 -38.84 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.085 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -72.34 -30.42 64.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.591 0.234 . . . . 0.0 111.332 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 2.9 p -66.61 -43.02 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 48' ' ' MET . 81.8 mt -58.69 -44.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 176.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 49' ' ' VAL . 82.1 mt-30 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.097 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -67.24 -33.67 75.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.629 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 51' ' ' SER . 71.1 mt -72.49 -37.33 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 176.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.416 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.17 87.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 111.083 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.95 -17.27 41.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.195 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.24 41.72 8.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.93 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' B' ' 55' ' ' LEU . 9.4 mmm180 -102.57 -1.01 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.43 127.35 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.292 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.456 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 15.5 m -150.4 161.43 30.64 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 9.3 Cg_endo -51.23 -42.56 53.41 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.685 2.257 . . . . 0.0 112.624 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.49 -46.43 90.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 45.8 mmtt -59.21 -47.6 84.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.3 0.572 . . . . 0.0 109.977 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.85 -42.96 84.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.885 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 33.5 tt0 -61.26 -50.05 74.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.89 -33.85 74.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 mt -76.26 -5.16 45.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.299 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -85.79 -45.05 11.97 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 170.518 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.0 mmm -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.541 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.57 -24.57 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 111.282 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' B' ' 77' ' ' MET . 78.6 t80 -82.55 -41.14 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.266 0.555 . . . . 0.0 109.623 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.42 -37.37 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.444 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.0 p -70.56 -45.55 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.549 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.3 p -66.17 -33.75 76.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 111.379 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 29.7 mmt -70.2 -28.03 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.338 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.78 -44.86 47.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.061 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 12.1 pt-20 -64.18 -37.66 88.28 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.726 0.298 . . . . 0.0 110.964 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 76' ' ' SER . 19.1 mt -66.39 -43.48 91.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.216 0.531 . . . . 0.0 110.314 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.4 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.319 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.31 4.93 7.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.579 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -100.99 -64.46 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.391 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -90.96 133.64 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 112.127 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 89' ' ' SER . 10.3 mm-40 -112.3 -166.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.025 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.21 -79.09 0.32 Allowed Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.0 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 -5.0 63.85 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.18 138.74 6.75 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.467 ' HA ' ' OE2' ' B' ' 85' ' ' GLU . 23.2 m -83.85 168.47 16.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.784 0.292 . . . . 0.0 111.083 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.28 -36.19 75.1 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.2 m -60.43 -35.56 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.31 0.576 . . . . 0.0 110.323 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -77.42 -36.91 52.8 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.868 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' B' ' 81' ' ' ALA . 41.7 mmtm -53.74 -55.51 25.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.465 0.65 . . . . 0.0 109.946 174.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -55.29 -47.99 74.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.696 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 29.2 m -69.24 -42.15 76.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.753 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.3 p -65.31 -44.14 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.267 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.07 -47.05 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.672 0.272 . . . . 0.0 110.484 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.33 -46.78 85.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -65.35 -41.86 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.04 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.291 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.42 ' SD ' HG13 ' B' ' 120' ' ' ILE . 39.5 mtt -67.22 -42.57 83.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.813 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.2 m -57.46 -38.82 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.324 0.583 . . . . 0.0 110.124 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.2 t30 -64.23 -43.8 93.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.929 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.46 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.457 -178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 27.8 m-85 -63.35 -39.68 95.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.04 -21.88 60.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 68.0 mm-40 -83.14 -42.12 17.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.608 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.8 p -71.21 -76.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.086 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 8.7 t -98.77 -21.99 16.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.3 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.87 12.86 26.91 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.272 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -151.13 148.92 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.48 140.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 0.0 111.009 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -100.76 113.82 27.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.557 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.518 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 21.8 mp0 -58.5 -51.3 82.82 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' B' ' 114' ' ' GLN . 85.4 Cg_exo -48.57 -44.77 29.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 122.078 1.852 . . . . 0.0 112.688 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.557 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.2 t80 -57.91 -58.62 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.46 -35.5 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -65.98 -41.61 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.069 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 57.6 mm-40 -67.74 -31.53 71.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.557 HG12 ' O ' ' B' ' 116' ' ' PHE . 35.3 mm -62.65 -40.74 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 59.9 p -61.09 -33.29 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.001 0.429 . . . . 0.0 110.727 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -72.0 -38.17 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.442 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.38 -51.34 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.657 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.79 -35.09 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.126 0.489 . . . . 0.0 110.443 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 53.7 m -73.48 -48.08 36.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -64.37 -41.22 96.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.92 -20.95 66.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 111.648 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.5 84.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -84.66 -21.21 30.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.019 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.8 -54.41 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.517 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.34 12.63 58.81 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.836 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.55 7.93 21.19 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.572 0.701 . . . . 0.0 111.19 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.58 -42.75 8.65 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.12 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.88 -48.11 14.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.34 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 32.8 m 47.55 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.312 1.445 . . . . 0.0 114.64 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.7 m 26.24 72.57 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.697 1.248 . . . . 0.0 113.417 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.355 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -99.95 109.96 22.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.17 63.61 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.703 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -132.68 15.95 4.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.819 0.342 . . . . 0.0 111.371 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m -120.97 119.93 33.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.01 0.434 . . . . 0.0 111.082 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -89.72 173.12 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 t -92.37 147.73 22.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.509 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 19.9 p -121.73 159.07 52.5 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 37.5 Cg_endo -68.1 5.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.544 2.163 . . . . 0.0 113.176 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 9.5 p90 -137.46 18.68 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 14.5 t -83.53 -10.33 58.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -146.82 150.63 39.96 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.957 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -32.05 67.92 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.015 2.476 . . . . 0.0 112.814 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -56.04 24.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.191 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.2 -35.5 81.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.627 0.214 . . . . 0.0 111.16 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.7 95.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.222 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.38 -42.52 98.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.506 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -65.14 -41.99 94.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -49.88 -45.22 50.42 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.452 0.47 . . . . 0.0 111.267 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.44 -51.34 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -67.64 -39.77 84.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.243 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 34.3 m -66.25 -24.46 66.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.236 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 73.7 t80 -81.64 -51.44 8.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.24 -31.3 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.514 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 22.3 pt20 -66.14 -28.71 69.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.411 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.13 -35.47 6.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.2 tp -70.95 -26.58 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.059 0.456 . . . . 0.0 110.687 -175.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 p -75.21 -0.17 18.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -113.01 5.13 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.278 0.561 . . . . 0.0 109.648 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 mmt -98.98 148.82 35.09 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.29 160.72 46.36 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.361 2.041 . . . . 0.0 111.184 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 102.28 -38.14 3.34 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.38 177.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 93' ' ' LYS . 77.1 m-85 -103.59 123.03 46.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -91.22 170.28 10.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.664 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.96 67.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -68.37 -46.1 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' MET . 85.7 mm-40 -72.13 -37.5 69.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.96 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.1 -45.7 92.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.25 -46.77 75.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 6.9 ptp -73.58 -30.61 63.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.179 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -65.22 -27.04 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.251 0.548 . . . . 0.0 109.752 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.9 m -67.03 -40.49 87.22 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.994 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' HG2' ' A' ' 48' ' ' MET . 38.0 mt -72.89 -35.34 48.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.511 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.45 32.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.2 pt20 -75.02 -21.94 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.438 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 29.1 t -66.34 -43.12 86.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 92.9 mmm -66.22 -41.84 89.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.83 -178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.662 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 14.4 m -67.39 -31.52 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.541 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -75.01 -29.73 60.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 110.708 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 36.7 m -59.59 -44.25 93.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 48' ' ' MET . 72.7 mt -62.57 -47.13 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.552 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 73.2 mm-40 -56.62 -46.32 81.0 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -64.1 -34.93 79.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.979 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 51' ' ' SER . 62.0 mt -78.49 -36.79 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.029 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.9 -36.0 72.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.155 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.98 95.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.504 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -72.26 -46.89 54.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.471 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.9 53.68 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.807 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -136.6 24.97 3.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 176.638 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -86.29 118.28 25.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.302 0.572 . . . . 0.0 111.143 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 p -135.55 160.12 68.96 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.3 Cg_endo -50.66 -41.06 55.07 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.557 2.171 . . . . 0.0 112.027 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -68.32 -43.29 77.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.465 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.26 -47.65 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.752 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -68.77 -39.43 80.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.967 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.678 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.3 tt0 -56.31 -41.56 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.979 0.419 . . . . 0.0 110.733 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.49 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.77 -39.22 17.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.45 -46.64 69.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.097 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.4 mmm -69.74 -34.64 74.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -63.79 -34.6 78.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.501 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.2 t80 -71.98 -46.17 58.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.043 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.79 -35.95 77.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.7 p -76.14 -38.02 57.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.9 p -68.84 -37.64 79.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 0.0 110.791 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 110.119 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.46 -49.26 27.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.086 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.68 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -69.31 -32.52 71.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.49 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.528 HD11 HD12 ' A' ' 44' ' ' ILE . 17.7 mt -59.69 -48.47 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.82 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.2 57.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.644 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.7 t -96.48 -77.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -123.99 171.15 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -154.0 174.74 14.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.192 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.07 0.76 9.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.886 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.63 60.41 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.696 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -166.6 118.42 0.79 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 11.8 m -54.49 148.02 12.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.806 -172.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' HZ3' ' A' ' 93' ' ' LYS . 50.3 tp -58.38 -52.47 65.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.647 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 p -60.25 -34.7 74.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.949 0.404 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 32.6 m -64.25 -57.88 8.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 23.9 pttm -72.71 -15.97 61.68 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.3 m -66.45 -42.4 87.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.261 0.553 . . . . 0.0 110.083 173.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -73.01 -28.01 62.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.972 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.716 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.17 -47.23 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.162 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.27 75.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.119 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.5 m -63.53 -41.33 98.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.826 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -91.4 -19.96 22.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.0 -47.74 79.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.139 0.495 . . . . 0.0 109.997 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -64.84 -36.44 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.004 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.542 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . 1.7 t-20 -54.53 -57.97 9.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.708 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.43 57.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.493 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -65.33 -33.21 75.44 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 111.549 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.29 -13.77 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.631 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.54 -38.07 15.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.357 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -84.89 -69.79 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.1 p -93.04 -42.77 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.43 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.47 4.48 28.6 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.476 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.99 147.31 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.409 . . . . 0.0 110.25 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.79 123.79 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.2 114.37 18.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 64.3 tt0 -65.69 -47.67 65.87 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.6 Cg_exo -49.9 -42.02 45.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.003 1.802 . . . . 0.0 112.354 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 120' ' ' ILE . 34.9 t80 -53.13 -51.31 62.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.16 -37.99 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.86 -44.56 85.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -58.37 -41.3 84.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 116' ' ' PHE . 28.7 mm -60.59 -42.14 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -70.65 -25.31 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.899 0.38 . . . . 0.0 111.055 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.43 -33.2 64.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.72 -48.82 79.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.838 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.01 -39.59 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.5 t -79.57 1.32 26.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.877 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.3 ptm -113.59 -37.96 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.174 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.9 -23.57 67.4 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.56 77.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.483 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -89.06 -13.22 39.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.65 18.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.23 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.61 13.24 83.16 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.677 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -89.01 12.7 14.77 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 122.102 0.953 . . . . 0.0 110.198 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.571 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.7 OUTLIER -100.28 -40.17 7.66 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.222 178.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -84.17 -47.36 10.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.997 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.3 m 40.04 34.58 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.473 1.109 . . . . 0.0 113.881 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.5 m 59.27 27.78 16.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.864 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.819 -179.87 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.473 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -88.87 83.1 6.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.441 0.639 . . . . 0.0 110.547 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.19 13.8 0.55 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -79.63 -19.46 49.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.089 -0.556 . . . . 0.0 111.298 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -83.77 84.95 7.38 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -87.1 149.18 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.231 0.538 . . . . 0.0 110.613 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -85.92 157.37 20.18 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 11' ' ' THR . 6.8 p -140.33 157.07 69.4 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -177.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.437 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 34.8 Cg_endo -66.19 -0.7 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.707 2.271 . . . . 0.0 112.978 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TRP . . . . . 0.437 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 7.1 p90 -130.87 23.84 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.126 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 8' ' ' THR . 15.0 t -85.84 -11.85 52.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.724 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.4 HD22 HG23 ' B' ' 11' ' ' THR . 10.1 p30 -144.29 150.09 47.08 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.81 -34.48 75.46 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.055 2.503 . . . . 0.0 113.017 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.3 -59.24 11.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.781 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.23 -37.76 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.666 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -71.41 -41.81 69.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.45 -29.24 69.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.15 -45.01 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.547 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.7 mmt -64.01 -44.75 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.877 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -63.03 -45.27 93.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.51 ' HA ' ' NE2' ' B' ' 25' ' ' GLN . 50.3 m -65.54 -29.7 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.557 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 70.3 t80 -73.79 -55.65 5.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.34 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.32 -34.95 77.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.53 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' B' ' 22' ' ' SER . 20.2 pt20 -65.44 -24.99 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.504 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.6 -35.27 5.97 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' B' ' 23' ' ' PHE . 53.8 tp -69.5 -30.81 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -73.17 0.89 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.085 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -117.81 11.86 13.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.623 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.7 mmt -97.94 149.95 36.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.69 160.71 40.69 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.972 1.781 . . . . 0.0 111.163 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . 0.612 ' HA2' ' N ' ' B' ' 88' ' ' GLY . . . 100.71 -49.82 1.07 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.692 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.2 138.1 31.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.819 0.343 . . . . 0.0 110.28 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -98.33 165.08 12.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.39 72.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.747 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -72.4 -26.84 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 111.447 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 41' ' ' MET . 97.7 mt-30 -85.19 -35.41 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.42 -31.93 73.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.351 0.596 . . . . 0.0 109.585 171.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.44 -32.45 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.246 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.03 -40.62 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.838 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 5.8 ptp -80.36 -28.84 37.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -63.03 -18.9 63.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.045 0.45 . . . . 0.0 110.71 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 m -66.45 -40.99 89.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.314 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 53.9 mt -75.25 -30.75 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.59 65.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.118 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.429 ' O ' HG22 ' B' ' 49' ' ' VAL . 0.9 OUTLIER -92.36 -27.02 17.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.724 -177.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 64.8 p -66.86 -36.94 83.46 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.175 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.527 ' O ' HG13 ' B' ' 52' ' ' ILE . 91.7 mmm -63.02 -46.24 88.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 5.7 m -70.51 -32.8 51.09 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.386 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.74 -38.93 92.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.438 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 69.0 m -68.37 -37.7 80.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.397 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 48' ' ' MET . 59.5 mt -56.62 -48.62 80.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.37 175.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 60.7 mm-40 -62.36 -40.58 96.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.298 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.9 m -65.62 -37.17 85.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.212 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 51' ' ' SER . 87.2 mt -68.04 -36.82 80.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.696 0.284 . . . . 0.0 110.64 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.63 -40.09 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.13 96.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.99 -56.49 6.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.48 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.84 46.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.347 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 23.11 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.997 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.09 149.49 25.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.411 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.9 p -167.51 162.11 10.14 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 10' ' ' TRP . 8.8 Cg_endo -51.55 -35.17 55.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.368 2.045 . . . . 0.0 112.029 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -68.32 -51.5 43.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.204 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -41.23 84.8 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.074 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.4 -34.8 63.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.087 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.571 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.1 tt0 -63.86 -42.6 97.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.407 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.68 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -59.96 -33.08 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.531 0.681 . . . . 0.0 110.758 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.28 -8.24 58.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.113 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 13.6 m120 -78.42 -48.52 15.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.435 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.36 -40.81 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.889 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.27 -27.69 67.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.075 0.465 . . . . 0.0 111.374 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' B' ' 77' ' ' MET . 68.7 t80 -79.57 -43.93 22.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.206 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.48 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 23.7 p -73.45 -44.04 59.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.46 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -64.06 -36.48 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 110.776 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.596 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 28.0 mmt -65.11 -38.69 91.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.33 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.99 92.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.521 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -55.13 -53.56 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.712 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 76' ' ' SER . 27.1 mt -60.23 -45.55 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.34 90.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.851 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.69 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.257 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 34.4 t -84.37 -49.97 8.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.796 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.73 136.1 33.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -170.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.418 ' HB3' ' HD3' ' B' ' 93' ' ' LYS . 10.0 pt-20 -156.37 155.24 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.432 173.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.69 30.86 1.13 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.723 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.53 -34.04 0.29 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.612 ' N ' ' HA2' ' B' ' 32' ' ' GLY . . . -112.48 123.85 6.46 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.836 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.6 m -72.46 -176.72 1.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.613 0.245 . . . . 0.0 110.837 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.1 tp -55.14 -36.3 65.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.345 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.5 m -66.27 -23.35 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -98.99 -52.14 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.633 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 56.7 pttt -64.78 -25.52 67.96 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.5 m -66.47 -39.4 88.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.523 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.0 t -71.25 -33.35 69.75 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.384 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -58.03 -42.32 85.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.07 -45.59 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.828 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.32 -43.22 88.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.04 0.448 . . . . 0.0 111.39 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.7 t -72.92 -25.51 61.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -82.63 -36.79 25.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.889 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.39 -42.15 98.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 0.0 110.368 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -69.66 -40.43 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.637 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER -72.74 -23.25 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.999 -178.531 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.6 m-85 -67.36 -27.79 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.46 -15.58 61.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -88.97 -46.31 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.36 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -75.51 -66.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.186 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 111' ' ' VAL . 1.7 t -96.55 -44.39 7.18 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.542 -176.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.11 -6.24 17.42 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.766 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.8 p -125.68 151.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.19 126.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.778 0.323 . . . . 0.0 111.081 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -81.84 94.93 7.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -62.59 -42.97 82.49 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 96.3 Cg_exo -46.3 -46.68 16.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.06 1.84 . . . . 0.0 112.271 174.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.649 ' O ' HG12 ' B' ' 120' ' ' ILE . 68.2 t80 -56.16 -52.08 65.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.414 176.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.5 mm -57.71 -41.76 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.089 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.65 -43.68 92.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.264 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 29.8 mm-40 -66.93 -28.47 68.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.012 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.649 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -61.82 -41.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.256 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -61.45 -30.41 70.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.698 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -74.53 -35.66 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.07 -51.94 67.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.35 -32.97 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.277 0.561 . . . . 0.0 110.937 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 8.8 t -86.82 -26.88 23.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.759 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -78.56 -37.31 43.02 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.624 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -67.08 -20.97 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.104 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.93 78.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.582 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -76.08 -25.79 55.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.373 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.88 3.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.18 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.56 29.0 73.97 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.451 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -84.17 12.33 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.678 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 1.2 p30 -88.79 -35.54 16.59 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.084 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.384 -176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 20.6 m 42.33 31.59 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.832 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.7 t 61.91 29.78 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.764 0 CA-C-O 118.614 -0.707 . . . . 0.0 110.784 -179.566 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.937 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -83.38 153.3 24.62 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.42 58.39 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -110.68 19.57 18.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.152 0.501 . . . . 0.0 110.624 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -79.13 82.14 5.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.473 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -112.31 -178.13 3.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.92 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 120.64 10.54 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.651 -173.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' THR . 12.1 p -134.4 163.28 52.32 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.406 175.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.31 -23.72 56.08 Favored 'Trans proline' 0 C--O 1.224 -0.207 0 C-N-CA 122.038 1.825 . . . . 0.0 112.309 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 23.8 p90 -111.21 16.87 20.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.104 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' THR . 14.5 t -74.41 -17.16 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' A' ' 11' ' ' THR . 12.8 p30 -160.22 157.26 24.58 Favored Pre-proline 0 C--O 1.234 0.285 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.22 3.05 3.75 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.99 2.46 . . . . 0.0 113.147 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.34 6.81 59.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.981 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -131.2 -30.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.595 0.235 . . . . 0.0 110.781 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.59 67.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.065 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -37.56 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -61.68 -28.94 69.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.966 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.83 -32.94 72.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.599 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtt -85.56 -42.7 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 109.576 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.0 m120 -57.2 -46.42 82.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.739 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 m -64.88 -38.44 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.784 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 66.1 t80 -63.83 -52.77 58.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.6 mmm -57.66 -42.78 84.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.457 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 79.3 mm-40 -62.94 -44.67 95.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.66 90.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.557 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 51.2 tp -67.18 -31.95 72.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 0.0 111.266 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 t -65.9 -10.52 39.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.977 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 t -110.39 15.98 21.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.16 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.8 mmt -104.05 151.12 38.91 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.537 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 165.4 31.25 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 111.255 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 98.86 -39.32 2.78 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.783 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -90.84 165.0 13.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.947 0.404 . . . . 0.0 111.639 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -112.76 -169.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.448 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -34.91 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.019 0.438 . . . . 0.0 110.794 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -80.35 -35.18 35.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.565 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -78.6 1.34 22.99 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.932 0.396 . . . . 0.0 111.511 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.17 -18.71 19.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.01 170.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.05 -52.79 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.561 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -47.36 85.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.98 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.9 ptp -65.29 -36.74 85.01 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.2 m -66.73 -25.77 66.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.432 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 35.0 m -66.31 -47.74 72.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.105 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 80' ' ' ILE . 55.9 mt -64.37 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -52.88 -52.81 56.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.112 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.541 ' HA ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.44 -18.53 63.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -177.436 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' B' ' 51' ' ' SER . 48.9 m -75.38 -41.68 55.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.436 176.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 82.5 mmm -73.09 -38.1 66.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.684 -177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.3 m -69.68 -39.82 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.538 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.9 -34.86 64.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.0 p -66.79 -45.67 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 110.401 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.4 -44.46 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.84 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 78.8 mt-30 -61.36 -42.93 99.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -64.38 -40.17 95.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.408 . . . . 0.0 110.54 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 59.3 mt -66.87 -37.86 85.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.097 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.13 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.39 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -113.43 3.23 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.88 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.73 95.08 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.518 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 13.6 mmm180 -101.93 -1.47 31.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 -177.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 p -85.79 148.25 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.212 0.53 . . . . 0.0 112.137 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -150.48 151.07 30.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.65 -58.59 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.034 2.49 . . . . 0.0 113.179 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -62.09 -36.03 80.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 0.0 111.602 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 17.6 ttpt -73.59 -29.77 62.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.917 -176.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.39 -32.72 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.238 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.563 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.0 tt0 -65.16 -42.14 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.98 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.451 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.61 4.96 8.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 111.682 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 10' ' ' TRP . 5.3 m-80 -98.39 -46.35 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 84.1 mmm -60.81 -46.69 89.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.687 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -51.91 -39.62 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.387 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.3 t80 -68.95 -49.51 57.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.256 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -59.64 -37.74 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.636 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 50.4 m -63.21 -54.64 34.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.556 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 66.2 m -61.53 -30.27 70.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 24.7 mmt -66.58 -33.43 75.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.1 0.476 . . . . 0.0 109.836 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -46.96 43.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.948 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 75' ' ' SER . 67.7 mt-10 -53.93 -52.61 60.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 76' ' ' SER . 20.4 mt -58.72 -44.79 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.085 0.469 . . . . 0.0 111.332 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.62 84.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.399 0.619 . . . . 0.0 111.076 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.5 -2.06 48.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.676 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -78.85 -73.95 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.981 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -113.87 153.24 29.52 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.729 0.776 . . . . 0.0 111.628 -175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -112.51 167.12 10.71 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.364 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.15 -57.14 0.19 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.929 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.81 -26.99 13.36 Favored Glycine 0 CA--C 1.509 -0.321 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.886 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -169.18 150.31 15.26 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 p -55.34 157.84 3.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.503 -170.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.36 -52.84 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.353 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.53 -39.49 88.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.517 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -60.42 -51.88 67.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.348 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -75.95 -10.77 59.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.76 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -69.14 -44.55 72.08 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.7 t -63.74 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.071 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 35.3 m -56.25 -46.69 79.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.3 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.08 -47.16 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.682 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.45 90.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -67.08 -35.32 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.1 -39.13 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.33 -52.35 65.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -58.44 -48.32 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.524 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -54.45 -39.18 67.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.656 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.13 -28.99 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 48.9 m-85 -70.71 -35.86 72.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.197 0.522 . . . . 0.0 110.445 178.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.54 -17.11 60.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.547 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.9 mm-40 -86.79 -30.81 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 p -92.97 -68.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.636 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.7 p -87.91 -38.15 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.423 . . . . 0.0 111.1 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.17 12.61 31.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.0 p -153.59 150.16 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.68 131.94 66.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.93 125.14 41.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.805 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.51 -44.24 91.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -43.08 -48.11 8.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.515 2.143 . . . . 0.0 113.65 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.0 t80 -59.7 -45.67 91.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 110.73 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.19 -36.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -74.63 -20.94 59.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -36.9 63.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 174.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 116' ' ' PHE . 43.1 mm -66.05 -36.02 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.341 -175.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -63.48 -37.27 86.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.688 0.28 . . . . 0.0 111.142 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.71 -36.87 85.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.493 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.27 -52.84 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.672 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.68 -38.83 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.087 0.47 . . . . 0.0 110.8 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -68.92 -46.91 67.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.561 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 ptm -65.86 -43.73 87.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.493 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -67.32 -24.98 65.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.619 0.247 . . . . 0.0 110.922 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.38 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 0.0 110.901 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -78.73 -30.06 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.22 -61.85 1.65 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.942 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.13 39.77 92.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.397 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -79.32 8.15 6.59 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.767 0.794 . . . . 0.0 111.257 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.7 OUTLIER -96.01 -35.16 11.5 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.599 175.185 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 -44.35 11.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.767 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 25.7 m 40.12 38.76 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.424 1.09 . . . . 0.0 113.746 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 27.49 15.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.815 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.507 179.408 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -120.87 155.27 34.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.302 . . . . 0.0 110.264 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.92 158.36 24.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.034 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -132.02 101.4 5.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -72.89 99.09 2.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.347 0.594 . . . . 0.0 110.772 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -132.33 -168.83 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.269 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -100.69 150.24 22.95 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.0 p -144.33 156.92 57.24 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 43.9 Cg_endo -70.58 5.73 1.89 Allowed 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.404 2.069 . . . . 0.0 112.859 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' TRP . . . . . 0.448 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 15.1 p90 -138.87 21.35 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.969 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.448 HG23 HD22 ' B' ' 12' ' ' ASN . 10.1 t -68.88 -20.39 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 111.465 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.497 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 13.6 p30 -159.34 159.34 28.59 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 8.2 Cg_endo -50.46 -23.21 10.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.762 2.975 . . . . 0.0 114.554 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.75 -18.15 64.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.645 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.04 -32.4 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.81 0.338 . . . . 0.0 110.207 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -72.09 -36.05 69.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.441 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.75 -41.22 86.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.6 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.2 mtt -66.99 -47.6 71.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.564 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -61.21 -42.77 99.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.353 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.1 m -62.41 -36.46 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.741 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' B' ' 27' ' ' LEU . 78.3 t80 -67.62 -52.49 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.674 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' MET . . . . . 0.415 ' HB3' ' HE3' ' B' ' 24' ' ' MET . 76.8 mmm -57.51 -46.44 83.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.616 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -57.49 -43.0 83.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.965 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.29 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.568 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -66.79 -29.97 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.408 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -63.83 -12.9 40.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.547 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -111.84 11.59 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.44 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 23.3 mmt -95.86 152.27 38.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.812 -177.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.15 155.02 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.384 2.056 . . . . 0.0 111.309 174.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . 0.45 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 105.22 -31.04 8.95 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.294 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' B' ' 27' ' ' LEU . 68.8 m-85 -101.21 143.81 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.056 0.455 . . . . 0.0 111.142 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.2 p -90.03 173.06 8.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.628 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.02 89.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.551 ' HA ' ' OD2' ' B' ' 39' ' ' ASP . 64.1 m -88.44 -5.38 58.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -173.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -84.14 0.36 48.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.35 -20.68 17.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.392 170.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.551 ' OD2' ' HA ' ' B' ' 36' ' ' SER . 8.8 m-20 -65.75 -51.49 58.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.799 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -49.6 75.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.375 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 9.5 ptp -69.36 -32.83 72.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -66.32 -31.98 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.346 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 47.3 m -63.68 -41.37 98.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.191 0.52 . . . . 0.0 109.76 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.483 HD12 HD11 ' B' ' 80' ' ' ILE . 62.4 mt -67.51 -42.95 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -50.67 -51.89 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.449 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -15.94 62.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.725 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -82.37 -39.37 22.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.082 0.467 . . . . 0.0 110.153 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mmm -64.15 -46.69 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.421 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.432 HG13 ' O ' ' B' ' 45' ' ' ALA . 17.8 m -61.06 -41.26 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' B' ' 53' ' ' GLN . 47.4 mt-30 -69.1 -37.27 78.3 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.635 0.255 . . . . 0.0 111.613 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 89.7 p -65.04 -36.98 86.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.91 0.386 . . . . 0.0 110.304 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' B' ' 13' ' ' PRO . 73.3 mt -67.28 -42.8 88.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.48 ' OE1' ' HA ' ' B' ' 50' ' ' GLN . 80.2 mt-30 -61.39 -34.76 75.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -71.08 -36.62 72.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.304 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 51' ' ' SER . 83.0 mt -63.6 -34.7 78.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.43 85.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.709 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.2 79.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.927 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.69 -22.9 56.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.222 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.91 45.49 5.4 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.272 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.495 ' O ' ' HE3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -134.3 31.41 3.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 111.213 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -87.2 122.71 31.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.679 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.5 m -132.75 157.19 78.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -54.64 -57.9 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.643 2.228 . . . . 0.0 112.646 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.18 -29.47 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 4.3 tppt? -71.0 -41.19 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.648 -178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.56 -38.74 77.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.243 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.5 tt0 -61.79 -34.03 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.679 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.61 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.16 -14.03 51.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.793 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.88 -48.29 54.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.515 ' HB3' ' OE2' ' A' ' 79' ' ' GLU . 79.5 mmm -65.82 -42.55 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.49 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' OG ' ' A' ' 76' ' ' SER . . . -50.92 -42.04 59.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.115 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' B' ' 77' ' ' MET . 23.1 t80 -63.15 -50.97 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.588 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.42 -33.12 73.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.589 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -74.84 -46.0 39.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 14.6 t -69.64 -37.57 76.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.153 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.508 ' HG2' ' CE1' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.86 -7.6 49.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.443 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.42 -48.43 7.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.644 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' B' ' 79' ' ' GLU . 0.1 OUTLIER -64.94 -35.62 81.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.126 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.483 HD11 HD12 ' B' ' 44' ' ' ILE . 40.7 mt -60.57 -46.38 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.585 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.1 -1.2 24.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.785 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 60.4 m -86.07 -73.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 111.673 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.83 148.48 29.49 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 122.245 1.021 . . . . 0.0 112.584 -172.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -114.68 166.19 12.0 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 113.683 -1.598 . . . . 0.0 109.262 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.79 14.03 0.11 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.804 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.87 -38.31 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.192 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.45 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -173.36 143.89 7.44 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -48.72 158.4 0.31 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -168.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -56.16 6.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.193 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -62.22 -33.3 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.268 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 16.8 m -59.89 -50.43 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.873 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -77.15 -23.75 51.61 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.701 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 69.9 m -61.22 -45.12 95.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 109.996 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 18.2 t -65.12 -38.63 91.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.039 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.44 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 54.6 m -58.23 -46.93 85.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 177.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' B' ' 101' ' ' MET . 46.8 mt -61.25 -47.61 92.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 110.489 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.7 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.304 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -69.51 -34.73 74.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.81 58.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.631 0.253 . . . . 0.0 110.942 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 24.2 mmt -62.32 -49.46 75.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.651 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -63.12 -35.66 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.651 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.1 t30 -61.84 -42.65 99.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.971 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.42 80.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.536 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.597 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 28.8 m-85 -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 0.0 110.796 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 -18.21 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.061 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.9 mm-40 -85.15 -38.57 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 -74.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.416 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.8 t -92.08 -30.4 16.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.506 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.95 14.34 23.13 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.636 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.597 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -152.3 149.59 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.5 p -114.34 134.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.288 0.566 . . . . 0.0 112.147 -174.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.71 109.28 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.842 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.617 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 66.9 mt-30 -67.26 -38.84 17.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 2.6 Cg_endo -47.43 -44.0 25.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 122.009 1.806 . . . . 0.0 111.923 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.679 ' O ' HG12 ' B' ' 120' ' ' ILE . 60.1 t80 -60.02 -53.55 56.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.173 176.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.12 -42.08 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.62 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.85 -43.22 84.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.6 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.21 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.679 HG12 ' O ' ' B' ' 116' ' ' PHE . 37.9 mm -63.69 -41.48 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -177.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -60.34 -32.29 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 111.106 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.84 -37.36 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -58.04 -52.92 63.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.852 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.47 -44.34 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 110.574 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -68.1 -44.75 75.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.8 ptm -66.99 -37.76 84.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.166 -176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.04 72.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.042 0.449 . . . . 0.0 110.562 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -78.84 -27.33 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.826 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.21 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.15 15.05 64.77 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.385 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -78.57 10.41 3.23 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.302 0.573 . . . . 0.0 111.235 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.563 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 5.2 p30 -101.48 -48.08 4.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.787 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.63 -42.63 16.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.87 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m 40.09 34.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 124.686 1.242 . . . . 0.0 113.638 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.2 m 58.76 31.68 21.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.805 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.457 -0.783 . . . . 0.0 109.888 175.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 p -85.09 54.54 3.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.367 0.603 . . . . 0.0 110.132 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.32 13.08 3.78 Favored Glycine 0 CA--C 1.507 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.565 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.11 -56.08 4.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.089 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -155.48 105.67 2.47 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -119.37 -51.14 2.31 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -150.61 141.49 22.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.491 170.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' THR . 31.7 p -143.54 161.27 47.78 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.486 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.23 10.27 0.33 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.74 2.293 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -138.9 10.86 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.639 0.256 . . . . 0.0 111.266 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 8' ' ' THR . 15.0 t -74.16 -18.11 60.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.249 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -152.86 156.0 32.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.536 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 -31.61 83.67 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.644 2.229 . . . . 0.0 112.855 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.87 -50.05 67.22 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.094 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 18' ' ' ASN . 95.9 mt -73.72 -27.74 61.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.647 -0.325 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -48.36 82.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.234 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.32 -29.55 47.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 1.2 t-20 -54.8 -45.19 74.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.98 -43.1 77.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.692 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.0 mtt -70.1 -47.46 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.628 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.7 m-80 -58.72 -48.27 81.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 30.3 t -63.43 -35.38 80.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE2' HD22 ' A' ' 27' ' ' LEU . 85.6 t80 -62.96 -49.87 73.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.94 -34.07 76.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.8 mt-30 -55.59 -50.34 70.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.053 0.454 . . . . 0.0 110.574 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.85 -38.63 35.77 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.424 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 33' ' ' PHE . 26.5 tp -64.23 -31.74 73.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.712 0.292 . . . . 0.0 111.452 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 t -71.23 1.72 5.66 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -118.57 7.95 11.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.468 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -91.9 134.47 28.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.56 -17.24 26.72 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.008 2.472 . . . . 0.0 112.49 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.76 -16.46 74.35 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.079 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 27' ' ' LEU . 42.6 m-85 -115.57 174.36 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.629 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 p -129.5 163.2 26.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.218 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -65.3 -48.78 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.332 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -70.76 -47.24 60.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.879 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.58 -42.13 82.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.358 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.42 -44.11 92.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.182 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.29 -41.26 41.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.441 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.4 ptm -72.46 -25.84 61.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -64.17 -26.11 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.246 175.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -63.88 -41.88 97.64 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.136 0.493 . . . . 0.0 109.932 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -71.95 -38.69 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.261 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.55 30.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.315 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.8 pt20 -73.54 -23.75 60.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.547 -178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -68.14 -38.81 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 73.7 mmm -64.43 -50.58 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.89 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 46' ' ' GLN . 10.0 m -64.45 -35.01 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.519 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -71.87 -35.25 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.664 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.3 m -63.94 -42.52 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.765 0.317 . . . . 0.0 110.635 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 48' ' ' MET . 77.7 mt -56.15 -55.67 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.441 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.88 -30.68 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.658 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -67.81 -42.63 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.265 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 73.8 mt -69.65 -30.08 67.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.758 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.13 72.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.805 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 97.2 mt-30 -83.69 -7.53 59.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.288 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.77 31.67 64.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.606 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 17.7 mmm180 -99.28 -6.68 27.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -79.01 135.3 36.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.34 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -135.19 151.51 75.27 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.1 -54.92 4.67 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.817 2.345 . . . . 0.0 113.218 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.04 -27.68 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -68.86 -41.62 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.255 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.0 -40.47 94.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.486 0.66 . . . . 0.0 109.547 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 30.7 tt0 -58.47 -44.25 89.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.039 176.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.59 81.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.717 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.18 -25.65 67.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.8 m-20 -61.65 -40.48 95.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.4 mmm -73.74 -38.29 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.426 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.34 79.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.195 0.521 . . . . 0.0 110.535 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' N ' ' HE2' ' A' ' 48' ' ' MET . 87.8 t80 -68.45 -43.44 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.32 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.23 -39.14 85.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.771 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 p -80.57 -42.48 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.727 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 13.2 p -60.39 -34.56 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.23 0.538 . . . . 0.0 111.276 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.456 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 26.7 mmt -80.57 -13.39 59.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.885 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.62 -41.63 16.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.882 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 9.8 pt-20 -64.41 -42.99 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 76' ' ' SER . 15.7 mt -64.52 -31.32 53.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.543 0.687 . . . . 0.0 110.567 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.605 ' O ' ' HD3' ' A' ' 93' ' ' LYS . . . -79.31 -52.83 7.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.375 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.18 14.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.117 -0.947 . . . . 0.0 113.139 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -78.54 -67.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.22 152.43 44.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 112.033 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.05 -170.81 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.333 -174.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.63 -61.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.942 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.87 -48.26 1.39 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.088 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.49 174.22 20.14 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.737 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 39.9 t -91.87 178.83 5.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 90' ' ' LEU . 5.4 tt -60.52 -43.9 96.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 t -65.11 -19.63 66.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.483 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -83.06 -35.91 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.605 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 72.2 mttt -59.83 -48.73 80.5 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.786 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.4 m -55.44 -51.91 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.364 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -66.28 -34.68 78.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.544 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -60.41 -48.17 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.918 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.8 mt -67.67 -45.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.14 73.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.981 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.1 t -64.75 -37.09 86.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.95 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.33 71.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.577 ' SD ' HG13 ' A' ' 120' ' ' ILE . 42.7 mtt -69.34 -46.85 66.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.511 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 p -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 109.879 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.616 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -62.25 -45.35 93.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.873 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.25 76.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.675 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.05 -41.98 97.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.319 0.581 . . . . 0.0 110.501 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.85 -20.14 65.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.1 mm-40 -91.96 -25.94 18.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.718 0.294 . . . . 0.0 111.403 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 p -90.59 -64.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.371 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -90.74 -46.82 8.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.161 0.505 . . . . 0.0 110.621 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.39 3.28 10.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -154.78 149.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.65 123.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.644 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 1.9 m-20 -60.8 -28.72 68.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.593 -172.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 39.9 tt0 105.0 -67.95 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.24 0 C-N-CA 124.804 1.242 . . . . 0.0 113.806 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -55.66 -31.23 78.75 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 122.101 1.867 . . . . 0.0 113.466 -171.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.3 t80 -57.21 -44.67 83.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -69.74 -33.24 55.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.757 -175.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -62.95 -48.65 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.505 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.89 -31.76 72.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.947 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.7 mm -60.28 -35.66 63.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 58.1 p -61.46 -35.46 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.149 0.499 . . . . 0.0 110.858 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -72.25 -32.59 66.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.578 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 126' ' ' MET . 90.3 mt -63.31 -50.74 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.53 -32.46 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.929 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.8 t -86.8 -4.53 59.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.895 -174.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 26.8 ptm -102.16 -40.76 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.248 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -68.12 -17.08 64.27 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.689 0.28 . . . . 0.0 111.362 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.74 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.76 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -83.38 -26.54 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.266 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.08 -69.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.955 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 51.06 43.37 49.84 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.39 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.5 13.02 9.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.681 0.753 . . . . 0.0 110.574 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.7 -41.75 10.54 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.689 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -76.02 -46.64 28.36 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.886 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 135' ' ' VAL . 27.4 m 39.67 86.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 O-C-N 124.725 1.265 . . . . 0.0 111.531 -175.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.3 m -71.55 60.88 0.34 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.891 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.076 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.8 m -82.33 97.16 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 110.296 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.08 68.0 2.35 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.734 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -125.32 -60.84 1.31 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.847 0.356 . . . . 0.0 110.133 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -128.25 91.86 3.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.029 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -129.35 -178.83 4.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -63.4 144.0 57.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.392 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.554 ' O ' HG22 ' B' ' 11' ' ' THR . 4.7 p -145.41 155.26 53.75 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.605 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 42.2 Cg_endo -69.8 6.43 1.33 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.351 2.034 . . . . 0.0 113.357 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 16.1 p90 -134.96 15.24 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 111.405 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 8' ' ' THR . 11.3 t -81.6 -8.96 59.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.461 HD22 HG23 ' B' ' 11' ' ' THR . 10.9 p30 -155.93 147.48 16.94 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.959 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.465 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 55.8 Cg_exo -53.29 -35.49 74.59 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.264 2.643 . . . . 0.0 113.008 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.7 87.15 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.995 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -83.6 -35.3 24.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.646 -0.326 . . . . 0.0 110.451 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.23 80.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.343 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 6.4 pt-20 -73.19 -36.08 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.864 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -37.05 76.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.9 -45.3 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.221 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.0 mtt -76.5 -37.02 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.456 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 4.5 m-20 -58.11 -57.04 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.432 177.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.45 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 8.0 t -69.93 -23.74 63.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.65 -50.16 74.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 93.4 mmm -66.23 -33.98 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 96.0 mt-30 -59.29 -48.58 81.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 110.031 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.83 72.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.367 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' B' ' 33' ' ' PHE . 19.9 tp -64.77 -34.42 78.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.638 0.256 . . . . 0.0 111.051 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -67.24 -9.22 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -112.05 17.3 19.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -103.97 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.326 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 -19.48 23.39 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 122.888 2.392 . . . . 0.0 112.869 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.42 -16.2 80.76 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.28 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' B' ' 27' ' ' LEU . 48.2 m-85 -118.95 151.12 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.561 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 p -119.44 169.89 9.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.43 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.27 70.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -65.16 -45.47 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.419 . . . . 0.0 110.647 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -66.71 -47.35 72.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.574 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.49 -38.04 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.925 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.88 -43.27 77.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.894 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -82.11 -41.03 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.126 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.4 ptm -77.09 -23.25 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -64.34 -29.53 70.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.549 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -66.15 -39.92 90.17 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 110.172 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.39 -38.88 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.924 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.25 -51.1 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 5.2 pt20 -75.66 -23.12 56.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.234 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -66.09 -40.68 90.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.91 -45.34 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.549 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -66.67 -39.84 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.017 -178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -66.95 -33.33 75.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.519 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 69.4 m -63.03 -52.07 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.13 -52.05 55.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.917 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -175.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -73.36 -28.97 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 60' ' ' ARG . 67.0 mt -76.43 -33.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.221 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.34 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.35 -15.49 63.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' B' ' 60' ' ' ARG . 49.5 mt-30 -105.13 -6.96 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.96 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 29.56 63.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.323 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.501 ' HG2' ' HB2' ' B' ' 58' ' ' GLN . 11.1 mmm180 -91.28 -8.79 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -79.98 143.78 33.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.28 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 17.6 m -146.25 151.58 44.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.34 -53.9 6.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.104 2.536 . . . . 0.0 112.853 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.85 -32.5 73.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 111.193 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 7.1 ttpt -71.82 -32.04 67.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.535 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 62' ' ' SER . 95.8 mt -67.35 -33.6 75.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.281 0.562 . . . . 0.0 109.733 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.16 -35.49 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.564 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -67.38 -18.92 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.2 9.26 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.74 -48.23 4.36 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 94.4 mmm -66.56 -43.3 85.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 174.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.3 -31.82 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.97 -43.29 62.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.115 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.72 -37.77 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.593 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -71.67 -42.52 67.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.043 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.426 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 7.8 m -71.16 -4.67 26.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.105 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 24.9 mmt -107.31 -6.52 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.009 0.433 . . . . 0.0 110.124 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.26 13.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.743 -175.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -74.72 -35.4 62.67 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.798 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mt -58.48 -45.71 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.31 -43.94 63.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.435 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.56 19.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -78.92 -60.23 2.46 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -170.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 155.9 38.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.577 0.703 . . . . 0.0 112.278 -170.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.9 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.183 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.58 -103.06 0.17 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.09 23.64 3.68 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.159 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.36 157.12 27.29 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.391 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 47.4 t -77.82 163.97 25.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.426 ' HA ' ' CE ' ' B' ' 93' ' ' LYS . 37.2 tp -59.77 -40.99 90.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.598 0.237 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -64.13 -39.65 94.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 m -64.17 -44.3 92.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.67 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 89' ' ' SER . 52.8 mtmt -61.67 -47.82 83.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.54 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.6 m -58.03 -46.15 85.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.146 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -68.54 -31.47 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.3 m -63.19 -46.13 88.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.686 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.22 -46.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.62 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.39 89.23 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.36 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -67.18 -42.23 84.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.472 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.495 ' SD ' HG13 ' B' ' 120' ' ' ILE . 51.2 mtt -69.47 -40.59 77.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -60.18 -37.42 80.14 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.7 t30 -62.48 -43.6 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.877 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.98 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.915 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.4 m-85 -66.34 -34.21 77.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 111.13 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.66 -17.53 59.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.6 mm-40 -86.37 -41.83 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.502 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.5 p -77.34 -73.54 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.845 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.41 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.6 t -91.9 -40.08 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.67 11.08 9.66 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.8 p -155.39 151.74 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.31 127.24 56.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.626 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 17.2 m120 -64.65 -41.08 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.791 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 63.6 tt0 102.88 -68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 125.399 1.48 . . . . 0.0 112.838 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.626 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 9.4 Cg_endo -50.98 -28.56 24.55 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.632 2.222 . . . . 0.0 113.427 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 53.1 t80 -57.39 -48.15 79.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.994 0.426 . . . . 0.0 110.192 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.84 -31.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.093 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.38 -33.22 75.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.595 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.83 -23.44 48.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' B' ' 101' ' ' MET . 29.8 mm -71.66 -40.59 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 -175.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 13.3 p -61.36 -33.54 73.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 0.0 111.368 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -69.52 -37.18 77.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.11 -39.49 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 26.3 t -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 -178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 26.5 ptm -77.01 -36.97 55.93 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.706 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -69.94 -15.62 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.371 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.18 96.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.072 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -78.72 -24.41 44.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.549 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.305 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.74 36.37 49.1 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.17 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -84.58 9.85 12.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -93.84 -43.63 8.5 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.161 174.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.27 -32.71 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.045 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.441 HG23 ' O ' ' B' ' 135' ' ' VAL . 34.0 m 41.01 81.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.236 0 O-C-N 124.73 1.269 . . . . 0.0 112.499 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -76.4 57.64 1.21 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.003 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.022 -173.37 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -147.19 127.99 14.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.45 4.64 40.46 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -95.48 -39.22 10.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.604 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 p -117.08 122.17 43.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -153.14 167.67 28.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.076 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -130.54 152.5 49.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.954 0.406 . . . . 0.0 110.841 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 40.7 p -125.96 160.0 58.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.883 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.23 4.6 1.88 Allowed 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.686 2.258 . . . . 0.0 112.932 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -138.63 18.05 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.258 . . . . 0.0 111.611 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -84.11 -14.48 50.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 178.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.42 147.35 33.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.88 -34.72 92.5 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.102 2.534 . . . . 0.0 112.889 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.4 30.83 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.779 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.65 -30.37 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.41 -0.465 . . . . 0.0 110.741 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.0 -39.64 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.696 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -57.45 -37.5 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.78 -52.78 62.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.439 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 22.5 ptp -78.34 -27.4 47.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.422 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -67.43 -41.13 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.987 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 p -73.69 -34.69 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.283 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.33 -52.65 64.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.7 mmm -59.92 -40.75 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.605 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 -38.01 89.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.077 0.465 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.19 56.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.02 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.86 -29.55 68.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -68.22 -2.29 7.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 t -115.44 15.53 16.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 110.209 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -102.87 134.54 19.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.81 -25.79 60.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.084 2.523 . . . . 0.0 113.159 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' A' ' 93' ' ' LYS . . . -74.5 -4.05 68.52 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.665 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 39.5 m-85 -124.74 155.44 39.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.578 0.689 . . . . 0.0 112.223 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.4 p -118.87 155.94 30.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.535 -177.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.61 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.028 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -65.37 -37.7 87.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.469 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 14.1 mm100 -85.05 -32.09 23.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.9 mt -61.33 -36.59 80.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.509 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.66 -47.16 83.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.037 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' HG3' ' B' ' 65' ' ' LYS . 1.5 m-20 -71.41 -41.62 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.273 -176.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -75.98 -28.05 57.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 0.0 110.771 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -69.36 -26.97 64.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.2 m -65.9 -39.95 91.08 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 176.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.55 ' O ' ' HG2' ' A' ' 48' ' ' MET . 53.4 mt -66.95 -39.45 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.368 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -46.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -75.17 -14.98 60.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.481 -178.351 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 46.0 m -81.68 -35.34 29.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.445 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 78.0 mmm -70.07 -48.98 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.793 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 46' ' ' GLN . 32.1 m -64.56 -32.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 47' ' ' SER . 12.4 pt20 -69.27 -34.48 74.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -70.98 -39.93 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.095 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 81.0 mt -61.68 -48.68 87.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.68 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.07 -37.21 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.028 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -60.28 -43.38 96.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 0.0 109.673 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -38.27 90.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.79 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.72 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -90.48 -9.41 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.304 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.3 32.71 72.32 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.265 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -111.05 23.48 14.07 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.2 p -77.7 136.51 38.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.747 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 m -143.64 147.6 39.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.25 -48.83 18.71 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.716 2.277 . . . . 0.0 112.694 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.22 -45.3 77.22 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -56.67 -36.25 69.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.177 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.12 -40.2 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.828 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.636 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.5 tt0 -65.7 -37.48 86.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.787 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.79 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.074 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.36 -29.79 22.68 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.98 -53.76 53.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.455 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.7 mmm -70.88 -30.39 66.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.227 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.24 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' O ' ' HG2' ' A' ' 77' ' ' MET . 90.3 t80 -62.13 -49.51 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.481 177.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.79 75.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.667 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -75.61 -38.52 58.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.8 m -61.59 -38.79 88.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.889 0.376 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -66.15 -34.37 77.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.311 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.99 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.215 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.54 -58.1 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.07 -34.92 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.199 0.523 . . . . 0.0 111.136 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HZ ' ' A' ' 33' ' ' PHE . . . -72.75 -38.14 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.442 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.83 -29.32 44.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.25 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -74.98 -55.86 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.669 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 32.9 mt-10 -120.07 134.97 55.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.274 0.559 . . . . 0.0 111.003 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.88 -54.51 3.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.49 -174.345 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.521 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . 80.79 -106.59 2.56 Favored Glycine 0 C--N 1.299 -1.505 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.915 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.47 2.17 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.95 129.35 2.23 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.2 m -65.88 154.96 37.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 0.151 . . . . 0.0 110.73 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.14 -48.22 53.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.858 0.463 . . . . 0.0 111.098 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 m -60.42 -39.92 89.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -66.67 -39.74 88.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 89' ' ' SER . 26.6 mtpp -65.02 -40.16 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 m -60.45 -46.14 91.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -65.18 -35.77 82.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.473 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.2 m -60.25 -46.86 88.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.816 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.11 -44.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.892 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.53 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.554 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -67.97 -33.11 74.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.95 58.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.86 -48.4 76.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.687 0.28 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.458 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 p -64.17 -33.05 74.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.503 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.3 t30 -65.17 -40.26 94.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.44 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.352 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 69.2 m-85 -67.19 -34.75 78.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 102' ' ' SER . 85.8 mt -71.83 -19.21 62.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.1 mm-40 -87.61 -36.85 17.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -86.58 -76.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.619 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.4 p -79.97 -43.42 22.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.59 2.69 24.15 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.5 p -155.21 150.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.577 -0.311 . . . . 0.0 110.3 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 114' ' ' GLN . 19.1 t -88.1 131.92 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 44.3 m-80 -69.05 -16.84 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 57.7 tt0 102.17 -79.61 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 125.058 1.343 . . . . 0.0 113.521 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD2' ' O ' ' A' ' 113' ' ' ASN . 42.3 Cg_endo -64.39 -12.64 34.1 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 121.956 1.771 . . . . 0.0 113.572 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.2 t80 -62.04 -48.97 77.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.817 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.7 mm -66.97 -30.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.201 0.524 . . . . 0.0 110.586 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.7 -33.96 76.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.375 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.29 -33.47 20.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.658 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.6 mm -60.53 -38.02 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.1 p -66.29 -28.27 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 111.033 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -81.07 -30.48 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' A' ' 126' ' ' MET . 92.2 mt -62.26 -50.54 71.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.69 -29.74 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.409 0.623 . . . . 0.0 109.897 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 t -84.76 0.23 51.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.932 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 27.3 ptm -110.65 -40.68 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.396 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -65.62 -25.49 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 111.125 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.99 89.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.694 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -82.0 -23.41 36.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.352 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.37 43.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.14 25.46 66.39 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.642 -0.708 . . . . 0.0 113.826 173.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -82.46 10.97 6.14 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.862 0.839 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.564 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.7 OUTLIER -93.49 -37.71 11.79 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.051 176.15 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.35 -41.56 19.86 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.206 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 135' ' ' VAL . 27.4 m 39.3 86.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 O-C-N 124.919 1.387 . . . . 0.0 111.783 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 m -71.19 60.23 0.27 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.017 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.573 179.614 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -147.68 178.69 8.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.02 -17.69 58.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.756 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -58.69 -64.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -87.37 97.66 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -116.18 153.77 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.08 0.467 . . . . 0.0 111.757 -173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -118.45 161.6 19.72 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.539 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -135.62 151.69 74.87 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.25 5.15 1.27 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.612 2.208 . . . . 0.0 112.946 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.41 19.56 3.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.651 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.5 t -76.14 -21.36 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.422 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 33.1 p30 -146.28 156.89 49.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.823 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 12.4 Cg_endo -56.85 -32.05 90.8 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.698 2.265 . . . . 0.0 112.85 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.06 -56.64 23.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.92 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.12 -29.39 66.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.61 -0.347 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.81 80.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 7.7 pt-20 -73.74 -26.71 60.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 111.204 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.87 -25.63 67.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -58.48 -59.29 5.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.058 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -77.19 -19.98 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.062 -176.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.53 -41.24 80.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.762 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 p -79.07 -30.97 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.469 ' CE2' HD22 ' B' ' 27' ' ' LEU . 83.7 t80 -57.8 -55.31 36.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.41 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.89 -36.93 77.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.691 -0.232 . . . . 0.0 111.515 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.47 -43.91 93.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.82 -36.9 46.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.269 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.469 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.8 tp -65.35 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -66.15 -6.3 12.91 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.592 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -112.25 9.53 20.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.008 0.433 . . . . 0.0 110.137 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -96.17 142.65 24.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.043 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.33 -20.54 16.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.034 2.489 . . . . 0.0 112.804 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.51 99.81 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.12 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.58 156.52 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.842 0.353 . . . . 0.0 111.191 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.591 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 69.8 p -112.51 167.06 10.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.61 78.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.451 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 21.1 p -64.28 -39.86 94.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.591 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 11.7 mm100 -82.73 -36.77 25.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 110.512 -175.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.441 HD23 ' SD ' ' B' ' 41' ' ' MET . 84.9 mt -62.26 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 177.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.6 -27.61 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.067 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.78 -46.77 11.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.267 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.441 ' SD ' HD23 ' B' ' 38' ' ' LEU . 9.9 ptm -71.3 -20.07 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -174.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -63.56 -27.14 69.05 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 26.4 m -65.28 -47.54 76.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.965 0.412 . . . . 0.0 110.394 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.08 -34.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.442 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.06 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.326 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -80.3 -20.33 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.501 -178.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 50' ' ' GLN . 66.0 m -72.47 -41.52 65.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.917 0.389 . . . . 0.0 110.283 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.497 ' O ' HG13 ' B' ' 52' ' ' ILE . 87.9 mmm -62.53 -44.22 96.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -69.06 -34.45 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 47' ' ' SER . 13.2 pt20 -76.81 -31.35 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.817 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 66.6 m -68.0 -38.77 83.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 48' ' ' MET . 86.2 mt -62.21 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.966 0.412 . . . . 0.0 110.097 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.99 -37.06 85.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.3 t -62.68 -43.87 97.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.999 0.428 . . . . 0.0 109.894 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 51' ' ' SER . 90.2 mt -61.87 -37.56 85.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.4 -42.4 98.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.82 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.263 0.554 . . . . 0.0 110.782 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -82.0 -9.02 59.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.543 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.9 30.66 67.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.137 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -108.39 19.71 19.5 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.989 0.423 . . . . 0.0 110.693 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -83.22 124.15 30.26 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -146.32 149.76 38.92 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.98 -33.71 53.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.113 2.542 . . . . 0.0 112.472 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.28 -61.74 2.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG3' ' OD2' ' A' ' 40' ' ' ASP . 26.2 mtmm -65.17 -30.92 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.929 -176.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.53 -37.94 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.911 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.7 tt0 -70.46 -35.99 73.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.178 0.513 . . . . 0.0 109.947 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.48 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -63.91 -25.52 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.921 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.46 5.12 51.51 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.812 0.815 . . . . 0.0 109.594 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.68 -53.27 4.1 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.46 -37.41 87.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.581 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.99 -39.03 71.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.358 . . . . 0.0 111.402 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' B' ' 77' ' ' MET . 86.2 t80 -68.38 -45.8 71.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.052 0.453 . . . . 0.0 109.98 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -37.97 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.421 -178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.3 p -79.47 -33.45 42.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.4 t -63.94 -39.59 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.427 . . . . 0.0 110.12 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 28.8 mmt -68.47 -29.02 67.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.78 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.682 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 83' ' ' SER . 2.4 tm-20 -57.93 -59.56 5.06 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.01 -45.86 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.12 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.808 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.85 -4.62 49.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.233 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -76.14 -53.86 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -176.228 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -119.23 -166.49 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -178.514 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.02 -163.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.452 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.31 -140.55 2.9 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -28.59 13.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.339 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.06 -149.95 19.51 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.139 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.9 m -96.14 173.57 7.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.11 -47.64 85.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -63.29 -27.99 69.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.787 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.5 m -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.019 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 52.0 mtpt -63.39 -37.96 89.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' THR . . . . . 0.459 HG23 ' HB ' ' B' ' 124' ' ' VAL . 25.5 m -56.75 -49.09 76.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -75.15 -27.95 59.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -59.24 -42.49 91.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 110.518 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' B' ' 101' ' ' MET . 67.1 mt -67.17 -47.62 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.173 177.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.77 85.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 8.6 t -65.46 -38.22 89.17 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 110.672 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.08 -32.78 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.705 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 22.2 mmt -63.02 -47.76 81.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 2.5 p -61.39 -30.52 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 4.0 t30 -68.94 -43.07 75.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 176.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.5 84.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.623 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.519 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.4 m-85 -66.6 -33.7 76.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.411 . . . . 0.0 111.118 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 102' ' ' SER . 97.6 mt -75.13 -21.25 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 80.6 mm-40 -82.48 -46.22 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.817 0.341 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -71.16 -75.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.864 -178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.7 t -92.69 -38.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.382 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.91 8.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.923 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.9 p -156.79 151.73 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.432 HG12 ' H ' ' B' ' 114' ' ' GLN . 35.1 t -105.06 137.41 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.357 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 18.9 m120 -69.1 -33.62 73.8 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 119.547 -0.263 . . . . 0.0 111.574 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 43.7 tt0 103.42 -69.72 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 125.178 1.391 . . . . 0.0 113.204 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 25.8 Cg_exo -62.02 -28.39 80.41 Favored 'Trans proline' 0 C--N 1.364 1.388 0 CA-C-N 121.398 1.535 . . . . 0.0 112.56 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.631 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.4 t80 -54.2 -50.29 67.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.61 -40.78 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.91 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -65.93 -44.2 85.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.749 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.42 -35.76 80.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.579 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.631 HG12 ' O ' ' B' ' 116' ' ' PHE . 31.9 mm -62.02 -39.1 82.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 111.308 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 44.5 p -63.94 -32.97 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 110.524 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -72.78 -34.38 66.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.17 -58.8 6.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.459 ' HB ' HG23 ' B' ' 94' ' ' THR . 17.4 t -58.34 -34.33 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.199 0.523 . . . . 0.0 110.41 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -65.11 -50.28 66.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.98 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 28.3 ptm -69.27 -34.31 74.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.461 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.92 -24.05 66.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.637 0.256 . . . . 0.0 111.404 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.8 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.302 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.437 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.36 64.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.96 25.43 69.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.436 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -103.88 18.02 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.449 0.642 . . . . 0.0 110.526 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.636 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.7 OUTLIER -85.45 -50.07 7.58 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.987 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.84 -38.03 13.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.868 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' B' ' 137' ' ' ALA . 28.8 m 42.31 96.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.91 1.284 . . . . 0.0 114.115 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.5 p -79.29 33.95 0.24 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.399 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.135 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 112.284 -0.326 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -55.32 117.6 3.68 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.263 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.76 43.43 2.89 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.65 17.38 2.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.68 -0.76 . . . . 0.0 112.131 -171.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -79.96 80.92 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -134.27 -163.65 1.4 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.089 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -120.57 143.16 48.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.196 0.522 . . . . 0.0 110.175 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.548 ' H ' ' HB ' ' A' ' 11' ' ' THR . 27.0 p -144.79 170.3 8.43 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.674 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.79 -1.96 6.84 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.492 2.128 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -133.71 23.17 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.747 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.548 ' HB ' ' H ' ' A' ' 8' ' ' THR . 11.6 t -68.36 -24.93 64.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.548 -177.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 5.8 p30 -150.76 157.01 36.21 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.623 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.5 Cg_endo -50.34 -37.78 51.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.279 2.653 . . . . 0.0 113.146 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.77 12.34 3.8 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 113.811 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.7 mt -128.75 -38.82 1.66 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.95 83.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.9 pt-20 -73.04 -36.87 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.856 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -68.51 -26.32 65.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.5 -45.28 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.022 0.439 . . . . 0.0 109.919 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 mtt -64.25 -46.08 85.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.608 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.4 m-80 -58.07 -49.37 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.756 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -62.51 -36.83 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.148 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.82 -52.64 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.55 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.457 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 83.3 mt-30 -71.38 -15.72 62.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.68 -41.51 2.69 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.096 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -65.06 -24.57 67.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.77 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 p -58.52 -23.46 58.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.428 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -114.43 26.74 9.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -96.87 139.34 21.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.517 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 -18.65 35.2 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.103 2.535 . . . . 0.0 113.155 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.98 -8.23 87.68 Favored Glycine 0 C--N 1.319 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.187 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -125.21 141.16 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 111.488 -175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.9 p -104.63 165.54 10.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.748 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.24 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -84.77 -35.33 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -68.05 -50.48 54.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.116 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.67 -38.65 78.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.122 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.98 -39.52 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.407 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -77.66 -41.51 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.354 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -78.9 -22.85 45.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -60.82 -15.85 34.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.14 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -63.03 -51.49 66.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 0.0 110.97 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.57 -23.82 28.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.936 -174.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -42.38 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.71 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 49' ' ' VAL . 34.6 mt-30 -89.16 -29.33 19.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.554 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -61.2 -40.95 95.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.96 -42.25 49.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.8 m -68.79 -36.55 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.391 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.51 -26.02 62.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 39.0 t -69.13 -46.78 66.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.674 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.63 -44.7 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.81 -35.24 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.186 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.3 m -66.96 -43.15 83.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.081 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.26 -35.24 80.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.733 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.28 94.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.745 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.37 65.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.688 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -87.03 -16.38 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.707 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 29.55 61.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.322 -0.466 . . . . 0.0 112.374 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -105.87 13.01 30.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 0.0 110.314 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.0 p -78.86 116.37 19.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 6.5 m -138.29 155.77 73.94 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 -176.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.82 -19.7 26.02 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.29 2.66 . . . . 0.0 113.535 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' A' ' 62' ' ' SER . 1.9 p30 -90.01 -46.66 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -46.39 80.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.03 -25.72 55.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.378 -176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.49 ' OE1' ' HB3' ' B' ' 133' ' ' ASN . 7.4 tt0 -66.55 -46.41 76.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.591 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.27 1.83 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.297 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 28.9 mt -112.89 0.64 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 171.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -86.81 -52.6 5.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.439 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 43.5 mtp -83.35 -22.09 32.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.337 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.83 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 0.0 110.421 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG2' ' A' ' 77' ' ' MET . 85.6 t80 -70.82 -45.55 64.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.517 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.84 85.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.458 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.413 ' HA ' HD13 ' A' ' 123' ' ' LEU . 9.2 p -73.09 -40.22 65.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.026 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.712 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 30.8 mmt -67.23 -40.13 86.31 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.036 -0.415 . . . . 0.0 110.325 176.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.2 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.104 0.478 . . . . 0.0 109.802 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.519 ' OE2' ' HB2' ' B' ' 71' ' ' MET . 34.2 tt0 -52.82 -59.8 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.862 176.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 76' ' ' SER . 23.1 mt -58.7 -45.37 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.989 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.06 92.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.372 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.35 -17.56 56.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.231 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -65.73 -64.48 0.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -132.9 133.29 43.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.656 0.741 . . . . 0.0 110.609 -174.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -86.13 161.26 18.96 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.72 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.49 -28.75 0.12 Allowed Glycine 0 N--CA 1.437 -1.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.741 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.84 -59.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.417 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.13 22.35 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.401 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.403 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 16.4 m -53.68 151.37 6.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -170.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.16 -50.92 47.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -61.84 -34.79 76.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.967 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 6.4 m -68.46 -35.28 77.35 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -60.31 -42.22 95.09 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.026 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -53.08 -51.21 62.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.974 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -70.19 -32.94 71.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -62.97 -50.19 71.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 101' ' ' MET . 56.5 mt -64.85 -41.78 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.414 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.71 78.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.301 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -64.36 -42.06 96.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.385 . . . . 0.0 110.219 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.652 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -66.11 -30.18 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.7 mmt -71.01 -46.97 61.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.979 0.419 . . . . 0.0 110.173 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 p -64.14 -33.49 75.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.901 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.652 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.2 p-10 -81.31 -25.02 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.343 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.13 72.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.815 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.1 m-85 -61.8 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.54 -19.93 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 68.1 mm-40 -84.41 -36.42 22.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.931 0.396 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 -75.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.141 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -88.75 -37.51 15.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -175.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.22 15.89 16.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.951 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.61 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -152.86 149.9 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.91 131.58 52.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -87.57 113.52 23.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.6 tp60 -65.54 -52.19 45.94 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -56.09 -33.62 90.45 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.073 1.849 . . . . 0.0 112.015 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.571 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.1 t80 -60.21 -52.86 63.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.192 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.1 mm -61.67 -33.9 59.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.834 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.25 -46.86 81.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 43.4 mm-40 -64.26 -31.87 73.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.4 mm -59.68 -36.05 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.226 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -66.39 -23.68 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 111.199 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -81.07 -39.39 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.431 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' SER . 91.5 mt -56.92 -53.31 59.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.329 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.05 -28.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 111.034 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -96.98 3.5 51.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.768 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -108.11 -41.06 5.02 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.337 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -65.01 -21.6 66.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 111.654 -176.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.084 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -80.34 -22.36 41.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.666 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.46 -46.37 63.03 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.25 0.548 . . . . 0.0 110.624 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.83 7.23 74.82 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.845 170.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -80.97 -0.72 40.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 122.082 0.944 . . . . 0.0 110.464 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.62 -29.23 14.43 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.574 173.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -85.83 -33.46 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.164 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.2 m 43.76 45.68 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.758 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.9 m 65.23 39.94 5.17 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.458 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.94 73.85 6.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.626 0.726 . . . . 0.0 109.883 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.91 31.6 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -90.42 -27.69 19.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.847 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -66.85 101.91 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.134 0.492 . . . . 0.0 111.517 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -114.87 162.05 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -75.78 148.26 38.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.5 p -140.85 157.79 66.7 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.72 -1.3 7.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.928 2.418 . . . . 0.0 112.054 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -130.85 21.73 4.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.327 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.1 t -66.81 -16.81 64.53 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.694 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -137.03 151.66 72.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.95 -35.25 70.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.223 2.615 . . . . 0.0 113.203 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.84 70.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.863 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.2 -30.69 66.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 0.0 110.703 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.17 82.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.28 -30.45 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.39 -39.52 83.63 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.785 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.0 -48.05 76.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.724 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.7 mtt -70.68 -44.08 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 30.4 m-80 -60.12 -47.13 87.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.818 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 107' ' ' GLN . 37.6 m -64.55 -34.03 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CE2' HD22 ' B' ' 27' ' ' LEU . 75.8 t80 -61.37 -51.04 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.747 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.25 -34.02 76.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.8 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 87.8 mt-30 -67.39 -25.62 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 111.202 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.21 -25.6 13.9 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.1 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.474 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -78.43 -28.05 46.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.861 0.363 . . . . 0.0 111.29 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -60.58 -27.12 67.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.555 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -99.14 9.06 44.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.778 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.9 mmt -85.69 132.17 45.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.246 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.96 -17.41 32.15 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.868 2.379 . . . . 0.0 112.578 -177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . 0.577 ' O ' ' HG2' ' B' ' 93' ' ' LYS . . . -70.69 -12.79 70.95 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.762 -176.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.17 158.72 27.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.641 0.721 . . . . 0.0 111.516 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.583 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 22.7 p -111.23 160.36 17.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.021 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.35 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.722 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.1 m -66.76 -53.53 32.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.587 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.583 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 6.9 pt20 -75.53 -18.18 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.592 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 34' ' ' THR . 40.9 mt -63.73 -30.47 71.57 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.633 174.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.51 -44.49 82.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.985 0.421 . . . . 0.0 110.071 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' HA ' ' B' ' 37' ' ' GLN . 38.2 m-20 -57.83 -47.46 82.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.671 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.487 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 4.6 ptm -79.48 -25.82 41.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.335 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -66.4 -38.87 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.522 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.6 m -63.89 -49.38 72.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.301 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.434 HD12 HD11 ' B' ' 80' ' ' ILE . 30.9 mt -65.26 -34.92 73.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -49.74 -55.34 14.32 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.553 175.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.512 ' HA ' HG22 ' B' ' 49' ' ' VAL . 40.1 mt-30 -69.71 -31.89 70.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.524 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.56 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 46.1 m -61.19 -41.63 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 0.0 110.442 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 91.6 mmm -71.0 -45.57 63.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.952 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -63.72 -37.09 78.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.9 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -76.43 -27.48 56.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.686 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -68.67 -37.54 79.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.33 -44.26 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.323 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.518 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 57.0 m -65.04 -39.64 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.66 -42.12 96.4 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.604 0.24 . . . . 0.0 110.611 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.97 95.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.591 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.64 -28.59 64.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -84.81 -8.78 58.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 28.11 60.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.915 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -133.37 65.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.44 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.02 121.87 46.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.086 174.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.461 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 3.7 m -137.76 160.38 65.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.877 -175.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 18.6 Cg_endo -53.92 -44.16 51.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.248 2.632 . . . . 0.0 112.476 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -80.08 -27.33 39.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.01 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 1.5 tppt? -68.11 -46.16 71.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.337 0.589 . . . . 0.0 110.068 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 64.0 mt -72.85 -28.2 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.02 -45.29 89.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.532 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.17 79.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 69' ' ' LEU . 33.9 mt -86.59 7.91 24.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.217 0.532 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -94.69 -54.64 3.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.247 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.519 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 22.4 mtp -76.8 -25.93 53.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.492 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.26 70.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.336 0.588 . . . . 0.0 110.515 173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.596 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.7 t80 -72.64 -43.82 62.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.573 174.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.88 -38.84 92.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.437 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -70.86 -42.24 70.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -56.88 -40.82 76.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.571 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -66.19 -35.98 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.398 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.22 81.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.209 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.439 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 43.2 mt-10 -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.762 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.434 HD11 HD12 ' B' ' 44' ' ' ILE . 41.6 mt -63.48 -46.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.079 0.466 . . . . 0.0 111.004 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.94 92.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.452 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.76 -13.57 59.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.984 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 10.7 t -71.79 -63.28 1.16 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.947 0.403 . . . . 0.0 109.994 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.66 127.09 36.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.567 . . . . 0.0 110.47 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 17.0 pt-20 -84.56 -36.86 21.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.814 0.816 . . . . 0.0 110.17 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.83 -113.65 6.07 Favored Glycine 0 C--N 1.299 -1.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 112.429 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.86 58.01 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -113.22 113.78 3.24 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.605 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 50.8 m -62.22 145.22 54.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.715 0.258 . . . . 0.0 111.54 -171.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.19 -51.21 8.35 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.51 0.724 . . . . 0.0 111.976 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -58.47 -39.7 80.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.983 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -67.3 -39.24 85.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' B' ' 89' ' ' SER . 21.1 mtpp -62.43 -39.54 93.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.127 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -59.25 -47.54 84.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -68.23 -33.08 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.6 m -59.82 -47.02 87.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.7 -45.48 81.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.83 89.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.773 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -75.86 -17.94 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.34 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -90.54 -31.27 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.61 -45.47 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.61 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -59.56 -34.79 73.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.222 0.534 . . . . 0.0 110.673 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.4 t30 -59.56 -53.82 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.378 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.67 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.844 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 23.0 m-85 -65.2 -38.16 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.214 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.49 -14.43 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 73.1 mm-40 -89.57 -31.64 17.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.0 p -92.66 -78.68 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.864 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.0 t -84.81 -30.48 24.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.98 10.9 35.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.59 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -151.31 151.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 131.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.855 0.359 . . . . 0.0 111.193 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -87.35 105.72 17.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.661 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -58.54 -50.19 89.36 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.585 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 9.9 Cg_endo -53.47 -39.03 83.59 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.263 1.975 . . . . 0.0 112.469 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.7 t80 -59.72 -51.2 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.322 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.86 -37.66 72.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.88 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.72 -45.49 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.769 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.24 -30.64 71.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.896 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -62.25 -41.1 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.045 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -66.11 -28.07 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -74.0 -34.14 64.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.093 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.04 -50.72 70.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 t -59.54 -39.82 80.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.307 0.575 . . . . 0.0 110.141 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 27.5 t -63.87 -48.73 75.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.31 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 23.6 ptm -66.39 -44.81 82.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.561 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' B' ' 126' ' ' MET . 25.6 m-85 -65.72 -25.34 67.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.55 73.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.737 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.94 -25.02 28.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.683 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.95 -60.11 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.612 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.36 74.26 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.852 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -81.2 12.81 3.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.742 0.782 . . . . 0.0 110.987 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.49 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -104.81 -32.59 8.76 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.871 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.3 -54.78 3.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.091 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.2 m 40.28 31.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 124.619 1.199 . . . . 0.0 113.486 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m 53.98 31.8 14.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.916 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.562 179.68 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.254 -0.338 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -133.86 142.0 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.17 51.45 3.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.523 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -106.97 -11.75 15.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -74.58 110.32 8.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.021 176.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.81 -44.71 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -175.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.44 155.34 45.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 p -141.22 161.46 53.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.88 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.6 -11.46 23.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.624 2.216 . . . . 0.0 112.891 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 p90 -126.17 22.54 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -76.87 -14.84 59.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -146.33 148.14 33.54 Favored Pre-proline 0 C--O 1.234 0.282 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 11.5 Cg_endo -56.98 -33.92 96.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.88 2.387 . . . . 0.0 113.095 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.65 65.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.867 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.03 -33.4 70.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.651 -0.323 . . . . 0.0 110.808 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.94 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.863 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 15.3 pt-20 -75.37 -27.37 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.571 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 m-20 -67.47 -35.06 78.44 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -54.69 -35.14 63.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.492 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.44 -57.6 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.508 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 10.2 p30 -70.54 -38.61 74.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.097 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.8 m -63.12 -25.94 68.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 110.946 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 27' ' ' LEU . 70.7 t80 -78.83 -50.66 10.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.349 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.36 -37.41 87.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.08 -175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.9 mm-40 -57.18 -42.36 81.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.1 -37.8 24.19 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.278 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 23' ' ' PHE . 30.3 tp -68.49 -30.6 69.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.241 . . . . 0.0 111.411 -176.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -62.48 -23.32 66.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 p -104.81 15.18 28.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.343 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.9 mmt -96.63 148.41 34.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.6 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.85 160.3 43.64 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.328 2.019 . . . . 0.0 111.378 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.05 -41.87 2.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.418 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.7 m-85 -89.27 162.96 15.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -120.5 155.01 34.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.437 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -15.33 48.51 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -99.73 -27.26 13.74 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -76.24 -27.18 56.66 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.236 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 2.0 mm? -68.43 -36.37 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.092 178.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.16 -41.17 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 -175.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.542 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 17.0 t70 -70.16 -44.81 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.083 0.468 . . . . 0.0 110.002 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.2 ptm -74.38 -29.61 61.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.032 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -69.16 -25.08 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.472 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 m -74.98 -39.46 61.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 48' ' ' MET . 54.6 mt -62.98 -36.56 76.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.046 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -48.67 -57.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.277 175.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 36.8 mt-30 -70.08 -21.81 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.731 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -67.6 -35.92 79.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 82.4 mmm -74.91 -36.91 62.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.482 0.658 . . . . 0.0 109.339 175.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 41.9 t -62.77 -55.42 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.062 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.97 -20.24 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.162 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.555 ' HB2' ' OG ' ' B' ' 47' ' ' SER . 10.4 p -74.87 -38.1 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 48' ' ' MET . 80.0 mt -56.77 -47.73 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 172.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.19 -36.93 81.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.847 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 m -71.55 -29.18 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.341 . . . . 0.0 110.252 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.27 -42.04 76.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.25 68.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.992 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 49.9 mt-30 -80.5 -22.38 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.827 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.13 42.14 12.7 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.995 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HE ' HG23 ' B' ' 43' ' ' THR . 9.1 ptm180 -131.52 20.37 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.82 124.72 25.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.361 176.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 15.5 m -143.06 158.2 59.21 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 17.8 Cg_endo -54.29 -44.96 44.63 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.106 2.537 . . . . 0.0 112.131 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -71.91 -31.79 66.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.02 -174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -42.94 75.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 110.286 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 62' ' ' SER . 59.6 mt -68.26 -41.54 80.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' B' ' 133' ' ' ASN . 32.4 tt0 -55.37 -54.71 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.084 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.97 -32.79 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.526 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.25 -30.82 67.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.786 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.1 -48.01 83.64 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.64 -36.74 70.82 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.704 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -57.76 -39.47 77.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.143 0.496 . . . . 0.0 110.267 175.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 70.0 t80 -67.63 -50.7 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.18 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.03 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.507 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 t -68.06 -45.53 73.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 80' ' ' ILE . 11.4 p -69.14 -35.95 76.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.911 0.386 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.4 mmt -65.02 -37.78 88.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.63 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.35 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 73.3 tt0 -58.75 -55.55 33.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 177.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 76' ' ' SER . 29.6 mt -58.35 -38.13 67.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.645 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . . . -68.77 -47.84 65.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.415 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -26.95 65.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.953 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.953 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -140.94 146.45 37.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.684 0.754 . . . . 0.0 112.17 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -98.87 -166.09 1.32 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.162 172.827 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -49.32 0.44 Allowed Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.573 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.6 9.6 73.63 Favored Glycine 0 CA--C 1.504 -0.644 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 85' ' ' GLU . . . 170.39 -179.43 42.53 Favored Glycine 0 N--CA 1.436 -1.338 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 m -77.38 167.56 21.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 117.134 0.467 . . . . 0.0 110.243 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.25 -46.66 79.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.45 85.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -58.09 -50.11 74.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 85' ' ' GLU . 7.7 ptmm? -82.97 2.36 35.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -86.88 -51.7 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -63.14 -31.0 72.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.671 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 t -52.94 -48.71 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.742 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.72 -45.83 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.01 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.648 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -72.15 -33.42 67.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.15 -31.11 30.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.326 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.2 mmt -60.46 -47.66 85.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.178 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 p -63.35 -33.54 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.676 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.3 t30 -63.77 -44.5 93.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.569 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.82 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.799 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 54.8 m-85 -68.14 -37.36 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.05 0.452 . . . . 0.0 110.961 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.53 -19.92 62.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.3 mm-40 -88.18 -23.21 23.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.953 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -94.93 -72.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.729 0.3 . . . . 0.0 111.73 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.9 p -89.64 -43.16 10.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.51 22.62 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 13.4 p -129.63 146.88 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.402 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.53 127.6 74.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -74.27 114.82 13.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.264 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 64.4 tt0 -56.63 -53.7 61.68 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.769 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.69 -37.95 84.27 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.346 2.031 . . . . 0.0 112.833 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 120' ' ' ILE . 56.7 t80 -57.36 -52.83 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.0 mm -59.49 -39.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.007 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.27 -42.91 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 15.9 mm-40 -70.25 -29.62 66.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.091 -174.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 116' ' ' PHE . 51.6 mm -56.09 -34.57 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.612 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -60.79 -33.15 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.55 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.0 -32.5 70.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.98 -54.19 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.73 -38.45 75.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.221 0.534 . . . . 0.0 110.13 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.0 t -63.67 -48.91 75.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.499 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.6 ptm -68.57 -38.84 81.06 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -66.82 -16.76 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.462 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.27 95.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.793 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -78.12 -27.78 48.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -59.61 -62.44 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.333 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.28 4.33 50.07 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.747 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.73 5.19 22.19 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.675 0.75 . . . . 0.0 111.129 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.5 -44.06 9.32 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.608 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.26 -46.25 20.76 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.132 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.4 m 41.52 87.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.19 0 O-C-N 124.855 1.347 . . . . 0.0 112.122 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.2 m -70.75 54.95 0.17 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.959 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -178.275 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -92.25 75.47 5.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.112 0.482 . . . . 0.0 110.854 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.95 113.94 4.16 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.201 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -77.1 85.18 3.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.254 0.549 . . . . 0.0 109.749 178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -81.13 103.41 10.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -70.01 -37.16 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.5 t -179.41 179.19 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.048 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.586 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.7 p -126.13 145.39 52.19 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.94 -15.62 50.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.7 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -122.02 25.65 8.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.586 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.0 t -75.38 -26.62 58.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -140.11 151.94 66.16 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.628 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 50.9 Cg_exo -55.11 -33.39 83.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.117 2.545 . . . . 0.0 113.138 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.74 -10.13 60.41 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.38 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -109.57 -33.63 6.73 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.91 0.386 . . . . 0.0 109.974 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.06 89.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.945 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.628 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -86.1 -16.63 37.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.203 -179.149 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.97 -35.11 77.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -56.32 -40.91 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 175.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -61.73 -53.75 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.846 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 2.0 p-10 -72.22 -37.48 69.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -174.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.8 p -68.21 -40.02 82.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.12 -49.77 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.644 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mmm -61.4 -39.94 92.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 76.1 mt-30 -64.39 -46.74 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.284 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -63.86 -44.71 95.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.257 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' B' ' 30' ' ' MET . 30.5 tp -65.68 -28.85 69.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -65.29 -15.56 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -111.64 13.43 21.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.281 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 24.5 mmt -101.69 148.73 35.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.268 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.96 151.76 35.67 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.292 1.995 . . . . 0.0 111.231 174.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 -16.09 49.68 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.726 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' B' ' 93' ' ' LYS . 47.3 m-85 -122.76 130.52 53.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.962 0.41 . . . . 0.0 111.21 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.0 p -88.12 156.21 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -10.65 15.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -94.2 -27.16 16.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.31 -35.94 30.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.473 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.09 -36.37 77.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.489 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.89 -42.45 98.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.148 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' THR . 12.5 t70 -69.03 -44.7 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.034 -175.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.497 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 10.8 ptm -77.96 -25.58 48.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.277 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.5 t -65.35 -24.01 67.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 109.739 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.534 HG23 ' HE ' ' A' ' 60' ' ' ARG . 74.7 m -64.28 -43.01 96.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.43 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' B' ' 48' ' ' MET . 49.9 mt -69.47 -37.21 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.346 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.444 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -52.38 -59.15 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.905 0.383 . . . . 0.0 110.651 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -59.78 -32.28 70.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.093 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.555 ' OG ' ' HB2' ' A' ' 51' ' ' SER . 8.0 t -65.26 -43.36 91.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.905 0.384 . . . . 0.0 110.027 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 75.8 mmm -72.65 -40.87 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.35 0.595 . . . . 0.0 109.59 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 45' ' ' ALA . 36.5 t -55.01 -46.52 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.808 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.85 -26.29 40.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.861 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 72.9 m -65.13 -42.98 93.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 173.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -57.36 -44.71 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.669 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.05 -32.91 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.3 m -69.63 -34.29 73.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.578 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.88 -38.22 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.226 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.2 91.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.412 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.45 83.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.14 -27.07 53.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.094 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.65 33.95 6.84 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.795 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 35.24 4.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.33 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -87.63 121.66 30.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.459 0.647 . . . . 0.0 111.064 175.505 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.4 m -128.39 150.36 74.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.78 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.76 -41.48 69.46 Favored 'Trans proline' 0 C--O 1.224 -0.216 0 C-N-CA 122.736 2.291 . . . . 0.0 112.435 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.41 -46.27 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.412 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.542 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 27.6 mtmm -62.42 -41.25 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.612 0.244 . . . . 0.0 111.376 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.86 -42.91 89.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.134 0.492 . . . . 0.0 109.807 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -56.37 -55.48 33.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.388 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -62.16 -31.64 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.457 -177.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 mt -68.43 -30.24 69.08 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.599 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -63.85 -44.42 93.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 97.0 mmm -74.6 -36.61 62.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.55 -40.18 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.4 t80 -66.94 -47.94 70.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.465 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.81 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.492 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -67.13 -49.4 64.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.463 ' O ' HG13 ' B' ' 80' ' ' ILE . 6.7 p -64.78 -36.13 83.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 110.883 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.4 mmt -62.64 -37.17 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.208 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.65 80.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.663 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.722 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 85.6 tt0 -60.91 -50.63 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.118 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 76' ' ' SER . 22.2 mt -56.54 -40.53 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.46 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.47 55.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.154 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.75 -9.6 38.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.086 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -76.28 -72.8 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.513 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -147.91 -176.38 5.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.364 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -170.05 -174.49 1.78 Allowed 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.861 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.55 -76.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.859 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.66 17.18 10.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.111 -173.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.84 -149.85 24.42 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.675 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -154.96 156.49 36.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.21 -49.57 71.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.346 0.404 . . . . 0.0 110.853 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -61.75 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -57.35 -50.62 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 0.1 OUTLIER -76.03 -23.43 55.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.238 -173.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 86.1 m -66.58 -48.89 68.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.171 0.51 . . . . 0.0 109.719 174.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 t -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.112 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -65.06 -54.01 36.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' B' ' 101' ' ' MET . 68.5 mt -61.65 -41.01 88.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.04 80.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -36.78 84.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.605 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -70.8 -35.04 72.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.051 0.453 . . . . 0.0 111.098 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.8 mmt -66.14 -34.29 77.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.5 m -64.52 -43.72 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.666 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.2 p-10 -75.74 -26.51 57.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.664 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.63 93.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.008 178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 24.1 m-85 -67.04 -33.88 76.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.57 -19.09 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.224 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.666 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 71.0 mm-40 -86.46 -42.49 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.686 178.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -74.32 -73.39 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.837 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 30.0 p -87.03 -38.99 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.66 6.55 30.66 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.9 p -140.48 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.68 130.75 60.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.258 0.552 . . . . 0.0 111.167 -175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' B' ' 115' ' ' PRO . 56.8 t30 -87.81 113.2 23.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.742 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.47 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 75.4 mt-30 -61.47 -52.14 72.25 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.546 ' HD2' ' OD1' ' B' ' 113' ' ' ASN . 79.8 Cg_exo -47.66 -41.82 30.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 122.276 1.984 . . . . 0.0 112.625 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.601 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.3 t80 -60.54 -55.55 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 113' ' ' ASN . 42.6 mm -57.87 -39.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.994 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.75 -42.52 86.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.747 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 28.8 mm-40 -70.78 -26.02 63.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 116' ' ' PHE . 51.4 mm -61.83 -36.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 63.3 p -61.74 -34.56 76.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 0.0 110.837 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -70.56 -35.15 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.802 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.07 -55.41 34.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.377 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -39.2 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.522 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 16.5 t -67.99 -47.84 67.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.538 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -67.77 -35.53 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.01 -22.45 62.15 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.163 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.98 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -79.25 -33.2 43.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.932 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.03 53.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.234 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.57 29.75 67.36 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.368 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.17 4.74 22.16 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 121.826 0.822 . . . . 0.0 110.792 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.41 ' HA ' ' CD ' ' A' ' 67' ' ' GLN . 0.6 OUTLIER -87.69 -44.46 11.17 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 174.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.5 -39.7 17.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.492 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.432 ' C ' ' H ' ' B' ' 137' ' ' ALA . 34.5 m 42.16 85.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.383 0 O-C-N 124.657 1.223 . . . . 0.0 111.706 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.8 m -72.2 41.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.247 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.176 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' HA2' ' OD1' ' A' ' 4' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m 62.51 98.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.382 0.61 . . . . 0.0 111.32 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.57 34.17 2.72 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 14.9 m120 -112.3 96.35 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -73.53 104.87 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.78 -44.51 66.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t -162.34 150.17 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.672 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 p -147.12 151.31 40.76 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.162 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.15 -33.14 91.38 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.279 1.986 . . . . 0.0 112.091 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -94.25 23.34 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.525 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -77.7 -16.48 58.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.358 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -149.72 147.18 22.08 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-O 120.537 0.208 . . . . 0.0 111.304 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.39 -36.57 87.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.607 2.871 . . . . 0.0 113.628 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.13 -38.81 88.09 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.113 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -87.42 -29.52 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.697 -0.296 . . . . 0.0 110.732 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.47 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.16 -21.2 43.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -37.68 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.172 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -55.61 -43.91 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.5 mmt -64.46 -45.22 88.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -64.76 -45.37 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.239 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.45 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 16.2 p -74.04 -19.1 60.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CE2' HD22 ' A' ' 27' ' ' LEU . 81.2 t80 -82.33 -57.85 3.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.8 mmm -63.52 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.343 -0.39 . . . . 0.0 112.038 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' HA ' ' A' ' 22' ' ' SER . 2.4 pt20 -63.47 -28.46 69.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.388 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.55 -31.43 7.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.874 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 33' ' ' PHE . 40.5 tp -67.25 -30.11 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.196 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -69.84 -1.78 10.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 t -116.22 14.12 15.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 0.0 109.826 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.8 mmt -100.08 138.32 20.26 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.77 -12.5 22.03 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.121 2.547 . . . . 0.0 113.013 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.49 -12.34 80.22 Favored Glycine 0 C--N 1.316 -0.543 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.844 -175.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' HD11 ' A' ' 27' ' ' LEU . 72.1 m-85 -122.02 164.83 17.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.181 0.515 . . . . 0.0 111.796 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 44.3 p -111.84 174.4 5.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.456 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.51 72.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.572 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -46.35 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.27 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.31 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.945 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.0 mt -64.19 -36.17 83.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.35 -51.09 70.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.069 0.461 . . . . 0.0 110.193 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 55.0 m-20 -60.8 -45.57 93.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.312 -176.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.531 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 6.5 ptm -79.7 -26.64 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.408 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -67.34 -32.72 73.87 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -64.77 -45.85 84.62 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.965 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 48' ' ' MET . 66.5 mt -64.56 -42.85 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.829 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.6 -54.27 12.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 49' ' ' VAL . 44.5 mt-30 -73.78 -30.83 62.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.58 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 8.9 t -61.55 -41.36 97.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.574 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -63.6 -48.66 76.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 46' ' ' GLN . 8.2 m -65.68 -33.29 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.85 -29.59 55.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.575 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 22.9 t -71.19 -38.05 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.956 174.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 48' ' ' MET . 78.7 mt -61.18 -43.18 95.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.11 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -62.04 -35.26 78.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.6 m -65.23 -40.36 93.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.501 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.38 -38.26 84.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.92 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.67 91.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.67 -27.14 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.123 0.487 . . . . 0.0 111.237 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -88.53 -3.14 58.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 34.07 75.35 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.094 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -131.87 49.33 2.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.348 0.594 . . . . 0.0 111.411 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 122.75 41.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.553 173.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -137.37 150.86 70.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.38 -42.97 52.42 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.911 2.408 . . . . 0.0 112.596 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.58 -51.01 71.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -67.43 -35.33 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.61 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.58 -41.33 72.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.486 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.44 -45.66 93.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.59 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.56 -33.87 73.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.981 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.68 -29.54 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.77 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.78 -47.47 85.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.414 ' SD ' ' CE2' ' A' ' 116' ' ' PHE . 96.0 mmm -75.52 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -52.36 -44.0 64.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.87 0.367 . . . . 0.0 110.137 174.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.4 t80 -68.17 -49.23 62.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.496 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.78 -33.72 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.012 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 m -77.81 -30.76 51.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 10.3 p -88.26 4.57 45.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.05 0.452 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -97.14 -15.73 20.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 169.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.05 -53.16 8.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.963 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -70.85 -31.69 68.47 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.603 -177.262 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mt -57.19 -44.16 83.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.324 0.583 . . . . 0.0 109.509 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -69.27 -54.3 15.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.622 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.55 -49.45 64.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.676 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -57.72 -66.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.06 153.55 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.221 -168.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.26 -174.24 2.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.191 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.89 -133.75 4.06 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.042 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 1.9 71.42 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.49 115.88 3.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.08 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.9 t -69.98 172.4 7.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.23 -41.34 96.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -69.12 -36.75 77.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.301 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -66.32 -48.0 71.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.359 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.93 -33.96 76.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.143 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.7 m -67.59 -48.81 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.397 . . . . 0.0 111.038 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.8 p -68.93 -30.43 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.822 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -54.52 -53.39 55.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.792 177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.1 mt -65.87 -42.94 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.78 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.55 80.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.99 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.6 t -67.14 -35.62 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 0.0 110.715 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -78.24 -28.84 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.5 mmt -70.13 -35.78 74.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.293 0.568 . . . . 0.0 109.773 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' VAL . 37.6 t -65.42 -39.9 92.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.663 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.1 p-10 -76.65 -23.33 53.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.92 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.72 90.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.915 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.582 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 45.4 m-85 -72.56 -29.99 64.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.731 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.66 -13.93 61.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.33 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.663 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 72.0 mm-40 -94.0 -40.73 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.687 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -74.3 -54.73 7.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.318 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 t -115.39 -27.28 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.498 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.62 31.55 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.503 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.6 p -153.27 151.88 10.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 102' ' ' SER . 3.9 p -125.82 132.42 70.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 0.0 111.003 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.38 120.01 20.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.311 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.44 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 25.1 mp0 -56.0 -50.41 87.46 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.161 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.2 Cg_exo -44.74 -47.89 11.1 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.345 2.03 . . . . 0.0 112.87 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' HG12 ' A' ' 120' ' ' ILE . 64.7 t80 -54.67 -50.18 68.83 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.518 0.512 . . . . 0.0 111.261 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.07 -33.76 65.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.244 0.545 . . . . 0.0 110.26 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -73.79 -22.51 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 39.8 mt-10 -76.43 -47.43 23.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.313 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 116' ' ' PHE . 33.1 mm -60.19 -39.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.296 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -61.98 -27.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.096 0.474 . . . . 0.0 111.518 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -83.3 -29.55 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.66 -46.19 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.18 -38.19 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.052 0.453 . . . . 0.0 110.978 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -78.47 -41.34 32.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.877 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -63.29 -43.31 98.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.707 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.82 -30.22 71.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.622 0.249 . . . . 0.0 111.243 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.77 -39.75 91.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.171 0.51 . . . . 0.0 111.081 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -84.98 -24.38 28.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.924 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -57.03 14.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.08 33.11 27.29 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.029 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -76.68 1.14 17.87 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.261 1.029 . . . . 0.0 110.335 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.45 -31.84 12.15 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.507 -1.679 . . . . 0.0 109.485 177.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.34 -50.88 6.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.129 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m 37.33 32.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 114.358 -1.292 . . . . 0.0 114.288 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.7 t 59.23 24.92 13.41 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.143 0.496 . . . . 0.0 111.399 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 -178.913 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -112.89 121.52 44.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.874 0.369 . . . . 0.0 110.025 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.68 38.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.982 -0.627 . . . . 0.0 111.786 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -82.54 108.37 15.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.841 0.353 . . . . 0.0 110.075 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -71.53 94.1 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -116.25 -70.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.353 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.73 126.59 50.57 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -152.07 142.63 15.21 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.903 167.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.4 -19.9 61.4 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -109.69 26.46 10.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.213 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.447 HG23 HD22 ' B' ' 12' ' ' ASN . 15.0 t -76.38 -15.86 59.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.264 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -150.21 152.38 33.41 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 12.1 Cg_endo -56.18 -36.6 96.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.821 2.347 . . . . 0.0 112.889 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.44 8.55 9.5 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.418 0.449 . . . . 0.0 113.855 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -125.03 -30.59 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.31 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.543 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -80.65 -33.3 35.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.696 179.291 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.57 -37.84 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.911 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -53.51 -43.01 67.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 mmt -61.45 -46.33 90.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 109.838 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -64.96 -44.13 90.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.507 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 53.6 p -67.69 -15.14 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.797 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' B' ' 27' ' ' LEU . 77.8 t80 -90.19 -51.31 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 110.644 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 94.3 mmm -66.47 -22.03 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.146 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -63.29 -34.53 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.66 -33.33 6.79 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.306 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 33' ' ' PHE . 40.0 tp -65.62 -25.81 67.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.224 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -63.93 -17.18 62.98 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.5 m -122.08 32.77 5.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.959 0.409 . . . . 0.0 110.805 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.4 mmt -98.97 137.47 20.5 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.485 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.83 -26.9 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.009 2.473 . . . . 0.0 113.595 -174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.31 82.6 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.991 -0.624 . . . . 0.0 114.191 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' B' ' 27' ' ' LEU . 24.4 m-85 -116.37 170.12 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.496 0.648 . . . . 0.0 112.446 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 55.4 p -118.96 178.65 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.234 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.89 -11.49 58.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.288 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -90.77 -42.51 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.548 ' NE2' ' HB2' ' B' ' 84' ' ' GLU . 0.5 OUTLIER -57.02 -46.98 81.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.785 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.21 -44.38 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.904 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.39 -45.73 82.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.346 . . . . 0.0 110.94 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' B' ' 43' ' ' THR . 0.9 OUTLIER -67.01 -42.04 85.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.343 -177.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.514 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 11.7 ptm -77.2 -30.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.035 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.0 t -64.39 -30.11 71.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.399 0.619 . . . . 0.0 109.401 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 69.0 m -62.42 -42.54 99.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.217 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.587 ' O ' ' HG2' ' B' ' 48' ' ' MET . 51.5 mt -73.59 -35.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.64 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.182 0.515 . . . . 0.0 110.467 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' B' ' 49' ' ' VAL . 70.6 mt-30 -67.01 -35.1 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 49.9 m -59.54 -37.58 78.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 0.0 110.281 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 77.7 mmm -69.08 -44.72 71.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.6 m -69.86 -34.48 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.812 0.339 . . . . 0.0 111.217 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -70.36 -38.54 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.619 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 70.3 m -61.21 -46.24 91.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.839 175.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.72 -41.24 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -64.65 -40.71 95.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.294 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -63.11 -37.66 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.445 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.834 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.96 86.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.655 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.29 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.008 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -86.04 -16.01 39.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.33 36.16 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.249 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -116.19 19.16 15.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.5 p -74.83 120.01 19.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.042 0.448 . . . . 0.0 111.14 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -136.83 147.09 57.85 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.779 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.14 -37.45 79.74 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.061 2.507 . . . . 0.0 112.781 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.12 -50.2 74.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.486 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 49.5 mttm -64.68 -41.94 95.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.485 -177.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.97 -42.86 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.25 -48.88 77.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.915 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.47 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.079 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.31 -33.79 76.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.768 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' B' ' 70' ' ' ASN . 9.4 m120 -60.89 -42.41 97.92 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.104 175.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -73.34 -41.19 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.561 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.553 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -53.41 -40.91 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 0.0 110.255 175.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.606 ' O ' ' HG2' ' B' ' 77' ' ' MET . 76.9 t80 -67.41 -53.92 24.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.22 -35.44 71.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.945 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 -39.62 41.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.045 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.598 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 22.7 p -70.95 -31.49 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -67.62 -25.44 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 109.957 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -51.25 20.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.681 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.598 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -62.12 -41.51 98.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.161 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.557 HD11 HD12 ' B' ' 44' ' ' ILE . 16.4 mt -60.13 -45.43 95.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' B' ' 33' ' ' PHE . . . -66.42 -42.54 87.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 110.441 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.53 71.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.921 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -64.38 -78.37 0.05 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.548 ' HB2' ' NE2' ' B' ' 37' ' ' GLN . 2.9 mp0 -76.97 170.61 16.2 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.375 0.607 . . . . 0.0 111.63 -175.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.69 -167.16 2.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.667 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.01 -66.34 0.53 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.988 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -106.19 -0.76 38.36 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.755 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.41 119.27 1.75 Allowed Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.333 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -73.59 178.53 4.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.31 -39.38 82.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.538 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -75.94 -31.02 58.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.087 0.47 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -70.26 -51.23 32.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.3 -33.42 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 84.6 m -68.06 -45.52 73.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.241 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.1 p -71.81 -31.2 66.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.385 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -58.61 -44.68 90.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.76 177.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.89 -48.18 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.598 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.85 84.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.4 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -60.62 -44.0 96.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.673 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.8 75.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.18 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.48 -42.44 99.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -59.12 -33.4 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.5 t30 -76.26 -42.46 45.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.18 -42.24 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.756 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.653 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.3 m-85 -65.68 -31.56 72.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 0.0 111.394 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.89 -22.76 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.756 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 31.5 mm-40 -78.64 -39.32 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.37 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -85.0 -69.16 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.505 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.9 t -97.81 -31.9 11.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.703 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.46 24.72 9.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.564 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -158.28 149.85 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.04 128.58 57.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 0.0 111.652 -174.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.38 101.26 4.03 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -53.59 -52.91 62.74 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 10.1 Cg_endo -53.46 -43.09 60.48 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.257 1.972 . . . . 0.0 112.402 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 46.1 t80 -53.87 -45.91 71.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.28 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -66.84 -31.14 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.582 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.7 -10.77 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 115' ' ' PRO . 40.6 mt-10 -85.59 -42.26 14.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 116' ' ' PHE . 16.8 mm -62.81 -30.67 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.181 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 28.0 p -66.22 -20.95 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.489 . . . . 0.0 111.498 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -90.88 -28.15 18.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.579 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.2 mt -69.5 -50.94 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.096 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.92 -39.1 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.4 p -74.3 -46.13 43.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.708 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.5 ptm -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.525 -175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.61 -31.51 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.78 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.54 . . . . 0.0 110.687 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -74.21 -39.07 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.743 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.65 68.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.909 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.83 39.68 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.405 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -71.61 0.37 8.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.633 0.73 . . . . 0.0 110.93 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -99.49 -21.65 15.84 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.256 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -100.73 -44.8 5.69 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.704 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.8 m 41.63 27.95 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 30.6 t 55.19 39.72 31.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.354 0.409 . . . . 0.0 111.294 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.422 -179.429 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -99.04 90.62 4.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.041 0.448 . . . . 0.0 110.391 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.65 -138.32 10.8 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 57.13 30.47 18.35 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.62 0.368 . . . . 0.0 111.413 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -62.91 112.42 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -122.5 167.81 12.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.048 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -66.05 141.61 58.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.402 0.62 . . . . 0.0 111.14 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 11' ' ' THR . 2.2 p -151.08 163.98 21.8 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.872 -176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.98 2.38 3.71 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.542 2.161 . . . . 0.0 112.731 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -138.84 18.4 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.72 0.295 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.584 HG23 ' OD1' ' A' ' 12' ' ' ASN . 10.1 t -67.39 -28.06 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.185 0.517 . . . . 0.0 110.95 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.584 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.6 p-10 -159.96 153.16 18.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.0 Cg_endo -51.05 -35.42 50.82 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.181 2.587 . . . . 0.0 112.706 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -12.73 31.87 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.807 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -115.81 -26.16 7.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.297 0.549 . . . . 0.0 110.879 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.05 97.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 14.1 pt-20 -78.42 -7.97 57.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -83.37 -27.58 29.56 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.279 -0.263 . . . . 0.0 110.861 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.32 -52.21 66.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.918 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -30.17 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.482 0.182 . . . . 0.0 111.275 -176.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -65.08 -45.94 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.527 . . . . 0.0 109.896 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -66.9 -22.3 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.359 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 27' ' ' LEU . 87.7 t80 -78.93 -56.88 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.794 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.99 -29.86 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.056 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.99 -17.45 64.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 111.216 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.84 -24.18 6.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.542 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 33.8 tp -71.91 -22.79 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.536 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -63.92 -18.81 64.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -107.48 16.8 23.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmt -102.99 150.28 37.66 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.52 171.97 17.09 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.533 2.156 . . . . 0.0 110.914 172.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 90.57 -47.64 3.04 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.47 -0.872 . . . . 0.0 112.403 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -102.97 122.5 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.938 0.399 . . . . 0.0 110.587 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 46.8 p -86.7 166.09 15.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.25 40.13 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.317 0.386 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -65.67 -46.37 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.317 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 84' ' ' GLU . 11.1 mm100 -71.82 -25.14 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -169.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -69.43 -21.57 63.73 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.508 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.51 -41.71 94.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 109.77 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 39.3 m-20 -66.48 -42.51 87.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.619 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 80' ' ' ILE . 12.4 mtp -76.37 -38.8 55.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.678 -175.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -63.57 -26.74 68.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.4 m -62.66 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.331 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.1 mt -72.86 -36.08 51.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.422 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.32 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.743 176.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -70.26 -37.98 75.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.886 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -56.38 -43.36 79.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 88.4 mmm -68.29 -45.5 72.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.297 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 33.2 m -65.52 -39.38 84.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.756 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.25 -45.27 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.483 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.2 m -56.97 -46.67 82.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.047 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 99.0 mt -63.58 -46.73 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.786 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.1 pt20 -70.23 -27.49 64.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 0.0 110.064 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 51' ' ' SER . 46.8 mt -63.42 -36.18 82.88 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.092 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -34.97 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.507 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.87 -42.1 64.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.74 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -70.57 -20.82 62.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.268 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.16 49.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.011 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 14.4 mtp180 -111.92 31.59 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.507 -175.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -82.99 128.51 34.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.369 0.604 . . . . 0.0 111.979 -176.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -151.6 146.13 18.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.72 -49.75 14.79 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.735 2.29 . . . . 0.0 112.484 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -71.02 -27.91 64.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 18.4 ttmm -73.42 -35.92 65.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.35 -34.05 75.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.535 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.3 -34.94 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.69 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -4.1 28.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.167 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 mt -112.98 5.23 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.09 -53.31 4.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.59 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.444 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 33.3 mtp -79.99 -22.99 41.87 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.8 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.76 -33.52 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.497 172.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 77' ' ' MET . 81.0 t80 -76.99 -42.57 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 0.0 110.114 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.51 -32.1 72.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.639 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -81.67 -40.65 22.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.538 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.7 p -63.73 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.074 0.464 . . . . 0.0 110.803 178.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -65.64 -31.49 72.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.87 -39.92 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 76' ' ' SER . 10.5 pt-20 -71.72 -22.91 61.56 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.859 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 76' ' ' SER . 5.1 mt -75.22 -48.18 32.67 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.434 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -60.71 -51.46 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.146 -176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.98 98.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.394 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 m -78.81 -46.42 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.879 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HB3' HE21 ' A' ' 37' ' ' GLN . 31.3 mm-40 -96.5 138.28 34.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.724 0.773 . . . . 0.0 112.351 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -95.15 -155.9 0.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.675 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.69 -94.17 0.14 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.341 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.2 25.38 6.71 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.688 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -173.89 155.14 21.27 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.95 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.3 t -83.64 -167.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.76 -40.76 80.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.9 m -68.49 -32.74 72.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 m -77.9 -48.88 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.872 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -61.17 -35.71 77.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -69.98 -48.09 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m -65.79 -33.1 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -59.58 -55.18 37.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.491 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 81' ' ' ALA . 56.7 mt -65.3 -40.36 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.39 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.89 -176.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.9 t -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.07 73.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.989 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.06 -47.2 75.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.6 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 18.4 m -57.67 -36.2 71.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.309 0.576 . . . . 0.0 110.276 176.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.8 t30 -64.05 -38.46 91.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.966 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.05 95.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 71.7 m-85 -66.28 -32.67 74.22 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.283 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.9 mt -71.9 -17.49 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 62.6 mm-40 -91.54 -36.28 13.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.723 0.297 . . . . 0.0 110.71 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -71.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.447 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.3 p -87.95 -54.84 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.974 0.416 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.82 -5.77 9.05 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.5 p -131.49 148.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.58 132.52 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.403 -175.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.41 99.76 6.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.509 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 36.1 tt0 -57.71 -49.49 93.48 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 51.3 Cg_exo -55.46 -38.17 94.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.79 1.66 . . . . 0.0 111.916 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.618 ' O ' HG12 ' A' ' 120' ' ' ILE . 28.5 t80 -60.55 -52.04 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.76 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.277 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.257 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.11 -30.04 66.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.3 mm -60.22 -37.19 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.195 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.1 p -63.84 -33.05 74.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.616 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.49 -34.6 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.821 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 99.3 mt -60.8 -51.32 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.73 -35.39 70.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.175 0.512 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.2 t -66.27 -54.59 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.69 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -60.79 -39.82 90.29 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -65.92 -22.45 66.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.476 0.179 . . . . 0.0 111.313 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.748 0.308 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -88.91 -24.54 22.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.781 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.98 84.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.599 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.88 76.84 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.758 -0.656 . . . . 0.0 113.282 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -80.05 6.56 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.883 0.849 . . . . 0.0 110.638 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.51 -32.26 14.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.602 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -80.53 -34.14 35.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.82 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.9 m 41.11 44.88 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 124.234 0.959 . . . . 0.0 112.479 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.9 p 52.91 58.75 5.02 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.473 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HA ' ' ND2' ' B' ' 4' ' ' ASN . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.031 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -92.97 91.24 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.669 0.271 . . . . 0.0 110.846 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.93 -115.84 0.57 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.874 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ASN . . . . . 0.576 ' ND2' ' HA ' ' A' ' 137' ' ' ALA . 1.1 t-20 63.72 19.73 11.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.107 0.563 . . . . 0.0 111.47 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -83.74 85.93 7.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 109.887 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 -179.03 5.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.863 -177.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -55.75 146.46 21.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.58 0.705 . . . . 0.0 112.407 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.526 ' H ' ' HB ' ' B' ' 11' ' ' THR . 2.9 p -152.14 166.51 15.13 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.791 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.46 -15.14 28.62 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.363 2.042 . . . . 0.0 112.708 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -126.92 23.79 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.526 ' HB ' ' H ' ' B' ' 8' ' ' THR . 8.8 t -66.16 -27.59 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.786 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.456 ' ND2' HG23 ' B' ' 11' ' ' THR . 12.2 p30 -152.58 155.4 32.65 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 50.5 Cg_exo -56.5 -28.33 73.21 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.98 2.453 . . . . 0.0 112.549 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.6 -11.37 56.86 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.074 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -111.85 -39.81 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.854 0.359 . . . . 0.0 110.059 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.35 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.717 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 16.7 pt-20 -70.14 -26.31 63.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.517 . . . . 0.0 110.876 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -87.13 -7.64 57.8 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.132 -0.355 . . . . 0.0 111.217 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -65.97 -53.84 33.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -27.02 63.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.974 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 29.7 m-80 -64.32 -53.63 45.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 175.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -60.24 -33.56 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.672 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.575 ' CE2' HD22 ' B' ' 27' ' ' LEU . 80.4 t80 -65.54 -53.52 40.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.064 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.1 mmm -60.58 -37.81 82.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.718 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.4 mt-30 -57.26 -47.26 81.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.47 . . . . 0.0 110.472 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -76.25 -33.18 49.88 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.451 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.0 tp -71.87 -31.9 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.812 0.339 . . . . 0.0 111.278 -177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -67.96 -8.77 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 p -113.54 21.45 15.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.458 . . . . 0.0 110.406 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 23.9 mmt -109.11 147.32 35.69 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.0 151.31 30.68 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.095 1.863 . . . . 0.0 110.95 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . 0.523 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 117.91 -39.76 2.52 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.556 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -102.11 126.25 49.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.334 0.588 . . . . 0.0 111.298 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -90.68 178.14 6.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.411 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.53 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.196 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.4 m -64.69 -48.74 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' B' ' 41' ' ' MET . 15.8 mm100 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.06 -33.81 76.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.97 -47.9 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.6 -45.12 84.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.434 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.1 ptp -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -64.24 -29.53 70.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.131 0.491 . . . . 0.0 109.739 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 m -68.27 -52.37 34.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.381 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.402 HD12 HD11 ' B' ' 80' ' ' ILE . 57.4 mt -64.23 -40.09 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.178 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -43.98 71.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 110.975 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.436 ' O ' HG22 ' B' ' 49' ' ' VAL . 19.0 mm-40 -73.99 -35.78 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.2 t -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.825 0.345 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.24 -42.01 93.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.38 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 16.2 m -68.4 -35.66 71.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.641 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.35 -46.14 91.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.453 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 54.5 m -57.83 -49.54 76.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.314 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.84 -47.94 87.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.744 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.7 pt20 -69.51 -31.18 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.206 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -67.0 -34.07 76.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 51' ' ' SER . 62.6 mt -69.7 -28.29 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.62 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.16 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 110.993 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.59 -3.78 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.155 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.98 84.35 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.546 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -111.84 15.91 20.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.643 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -80.31 121.01 25.12 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 34.9 m -143.85 158.49 56.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.627 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 12.2 Cg_endo -51.81 -43.23 52.88 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.47 2.78 . . . . 0.0 112.577 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -83.1 -36.94 24.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.628 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 20.3 mtmm -69.05 -35.32 76.45 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.85 -35.37 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.453 . . . . 0.0 110.141 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.09 -38.68 87.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.305 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.73 8.44 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.87 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 mt -121.71 4.78 10.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.361 0.6 . . . . 0.0 109.386 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -85.56 -50.43 7.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.659 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtp -85.43 -24.9 27.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.41 -29.86 50.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.422 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.584 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -80.46 -39.71 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -66.07 -32.93 74.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.318 -178.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.5 p -75.45 -42.91 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.7 p -64.58 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.8 mmt -68.25 -33.71 74.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.916 0.389 . . . . 0.0 110.249 175.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -43.56 68.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.061 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 76' ' ' SER . 11.0 pt-20 -67.37 -30.68 70.54 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.19 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' SER . 24.0 mt -70.65 -49.76 49.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 174.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' B' ' 93' ' ' LYS . . . -63.19 -55.42 25.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.985 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.5 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.977 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 43.1 m -67.08 -55.56 13.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.74 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.41 161.18 15.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.733 0.301 . . . . 0.0 111.436 -173.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.3 -168.45 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.34 -37.71 0.64 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.907 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.43 19.27 9.24 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.523 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.01 141.3 5.52 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -90.09 -172.53 3.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.18 -35.54 67.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.96 0.41 . . . . 0.0 111.109 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -72.71 -48.68 36.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.116 0.484 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -48.28 82.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.205 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 81' ' ' ALA . 18.8 ptpt -63.97 -25.24 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.249 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 95.6 m -78.04 -53.98 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 48.7 m -65.82 -31.24 72.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.455 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -57.47 -50.25 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.47 -49.21 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.32 77.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.788 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -65.99 -43.6 87.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.87 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.606 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.5 mmt -60.61 -47.91 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -59.7 -34.2 72.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.038 0.447 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.5 t30 -65.13 -43.88 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.814 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.58 80.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.501 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.617 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 34.9 m-85 -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.259 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.43 -24.24 60.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 67.3 mm-40 -80.61 -32.8 36.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -86.66 -74.36 0.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.084 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 35.3 p -89.87 -45.45 9.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.1 0.476 . . . . 0.0 111.246 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.19 14.53 13.11 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.617 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -144.39 147.65 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.5 127.22 60.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.074 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.2 102.24 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 35.7 tt0 -54.45 -54.54 47.37 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.462 -176.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 12.2 Cg_endo -55.85 -37.37 95.9 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.015 1.81 . . . . 0.0 112.121 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.599 ' O ' HG12 ' B' ' 120' ' ' ILE . 41.8 t80 -58.59 -51.94 67.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.519 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.41 -38.61 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -68.32 -45.71 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.447 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 53.9 mm-40 -61.22 -28.5 69.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.304 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.3 mm -60.9 -40.8 86.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.34 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.3 p -61.47 -37.38 83.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.345 0.593 . . . . 0.0 110.606 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -38.76 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.525 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.19 -53.17 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.71 -38.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 0.0 110.573 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 31.6 t -67.31 -45.2 77.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.49 -40.44 77.04 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -67.01 -20.5 65.88 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.94 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -84.58 -23.44 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.299 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -48.4 77.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.91 28.42 73.64 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.342 173.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.52 10.26 4.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.439 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -103.89 -35.05 8.29 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.617 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -93.48 -41.54 9.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.675 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m 38.52 38.18 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 124.53 1.144 . . . . 0.0 113.601 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 34.7 p 51.63 31.16 7.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.615 0.766 . . . . 0.0 112.342 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.256 178.089 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -154.38 -30.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.867 0.333 . . . . 0.0 111.589 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.59 39.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.791 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -74.86 88.2 2.3 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 122.584 -0.362 . . . . 0.0 111.669 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m 49.75 40.69 20.79 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.817 0.698 . . . . 0.0 112.808 171.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -87.51 159.97 18.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 t -59.83 127.88 34.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.082 0.944 . . . . 0.0 111.058 -173.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p -159.92 162.35 24.71 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 114.012 -1.449 . . . . 0.0 109.147 -174.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.71 -10.49 28.93 Favored 'Trans proline' 0 C--O 1.222 -0.317 0 C-N-CA 122.24 1.96 . . . . 0.0 112.058 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.2 p90 -124.33 17.65 9.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.462 HG23 HD22 ' A' ' 12' ' ' ASN . 8.8 t -73.58 -16.26 61.25 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.787 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.462 HD22 HG23 ' A' ' 11' ' ' THR . 11.6 p30 -156.99 152.33 21.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.09 -34.38 77.73 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.003 2.469 . . . . 0.0 112.692 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.12 -50.18 70.5 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.879 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.26 -34.04 72.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.65 -0.324 . . . . 0.0 110.879 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.97 83.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.992 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.52 -27.04 63.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.759 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -71.24 -22.4 61.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.04 -44.64 97.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.125 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -61.98 -45.97 91.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -59.37 -49.84 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.26 -26.94 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.046 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -77.25 -51.48 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.02 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.295 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.94 -22.4 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 0.0 110.47 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.93 -38.49 4.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.926 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.98 -31.28 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.278 . . . . 0.0 111.159 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 t -63.45 -16.65 61.22 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.244 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -99.95 9.95 42.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.043 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -93.38 147.71 34.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.097 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.71 -28.29 6.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.819 2.346 . . . . 0.0 113.206 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.37 -5.8 68.2 Favored Glycine 0 C--N 1.328 0.116 0 CA-C-N 116.088 -0.505 . . . . 0.0 114.189 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -124.69 153.27 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.207 0.527 . . . . 0.0 111.612 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 41.3 p -112.76 158.95 19.47 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.1 -178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.51 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.564 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 p -65.62 -60.22 3.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.8 mm-40 -67.54 -26.04 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.739 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 34' ' ' THR . 64.3 mt -61.78 -34.05 75.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.927 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.63 -36.22 70.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.714 0.292 . . . . 0.0 110.587 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.94 -48.74 80.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.278 0.561 . . . . 0.0 110.24 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.47 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 8.3 ptp -74.08 -32.66 63.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.63 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m -60.6 -35.3 75.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.029 0.443 . . . . 0.0 109.837 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -59.72 -41.08 90.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.763 176.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 HD11 ' A' ' 80' ' ' ILE . 47.7 mt -75.57 -37.49 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.647 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.06 72.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.546 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.754 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 t -59.98 -40.21 88.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.526 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 90.7 mmm -68.53 -44.62 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -177.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.03 -37.25 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.047 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.91 -37.77 88.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.7 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.58 -39.74 95.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 69.9 mt -66.38 -47.1 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.275 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.77 -46.33 89.49 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.769 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 p -65.21 -43.83 90.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.4 -32.32 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.015 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -38.58 77.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.95 86.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.392 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -75.17 -13.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.045 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.24 62.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.108 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -105.56 4.78 30.75 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.164 0.507 . . . . 0.0 110.598 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -85.69 124.31 32.07 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.895 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 65' ' ' LYS . 7.1 m -114.64 157.86 41.78 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.99 -35.18 59.89 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.468 2.112 . . . . 0.0 112.302 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -84.3 -26.74 28.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.776 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -76.41 -29.81 57.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.896 0.379 . . . . 0.0 110.271 -177.431 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.85 -31.48 69.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 0.0 110.253 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.44 -42.54 74.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.385 172.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -73.79 71.22 1.47 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.944 0.878 . . . . 0.0 110.23 176.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 6.5 mt 175.62 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.621 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.18 -44.01 96.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -32.21 60.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.857 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.345 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' N ' ' HE2' ' A' ' 48' ' ' MET . 57.9 t80 -63.47 -49.55 73.19 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.87 -39.62 81.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.635 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -76.43 -32.46 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.578 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 t -67.7 -32.3 72.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.374 0.607 . . . . 0.0 110.163 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 41' ' ' MET . 12.0 mmt -75.32 -22.58 57.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.05 21.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 16.4 pt-20 -61.43 -37.16 82.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.472 0.177 . . . . 0.0 110.727 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 44' ' ' ILE . 16.1 mt -65.2 -55.27 21.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.876 0.369 . . . . 0.0 110.451 176.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.22 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.03 92.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.957 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 m -81.21 -45.09 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.803 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -127.12 150.93 49.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 111.739 -176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.41 176.44 10.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.143 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.8 -8.17 3.16 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.446 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.28 40.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.06 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.58 123.97 1.91 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.006 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -66.52 169.78 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.69 -42.94 84.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -68.96 -37.88 79.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 m -66.04 -47.86 72.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.054 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.57 -38.25 83.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.072 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 m -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.618 0.247 . . . . 0.0 110.877 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.1 t -60.95 -33.0 72.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m -66.7 -49.05 67.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.905 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.4 mt -66.96 -46.24 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.186 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.09 86.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.725 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t -69.22 -32.02 71.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.793 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -75.08 -23.52 58.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 111.043 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mmt -72.67 -45.21 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -68.28 -33.75 74.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.8 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.59 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -76.28 -20.73 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.37 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.21 -38.22 72.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.12 -33.93 74.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.121 0.486 . . . . 0.0 110.902 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.16 -16.77 63.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.352 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 60.4 mm-40 -95.46 -28.88 14.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.611 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -89.05 -63.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.536 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.9 p -95.18 -43.49 8.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.971 0.415 . . . . 0.0 111.123 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.24 7.18 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.28 148.69 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.133 -0.533 . . . . 0.0 109.929 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.3 t -97.61 147.21 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 89.0 m-20 -69.3 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.545 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 6.9 tp60 175.66 -59.08 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 O-C-N 123.439 0.462 . . . . 0.0 111.539 174.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 5.3 Cg_exo -73.87 -26.05 13.71 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.895 1.73 . . . . 0.0 112.61 -171.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 39.5 t80 -53.71 -48.49 69.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 -177.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.19 -36.02 75.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -73.02 -29.33 62.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.129 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 122' ' ' GLN . 37.5 mm-40 -69.69 -35.42 75.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.959 0.409 . . . . 0.0 111.128 177.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.3 mm -65.77 -39.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.598 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.5 p -64.08 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.403 0.62 . . . . 0.0 110.597 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 119' ' ' GLU . 86.2 mt-30 -66.39 -42.51 87.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.707 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.353 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.89 -40.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.786 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 m -69.88 -45.72 67.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.07 -43.79 86.39 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -65.35 -28.22 69.13 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.133 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.03 78.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.783 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.07 -35.43 28.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.43 -49.53 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.003 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 60.33 36.66 91.53 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.011 174.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -81.85 27.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 131' ' ' GLY . 0.2 OUTLIER -102.84 -42.15 5.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.25 -178.852 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.25 -53.61 7.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.175 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 36.0 m 37.76 38.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 124.487 1.117 . . . . 0.0 113.483 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.2 p 51.1 30.02 5.19 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.862 0.865 . . . . 0.0 112.501 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.042 0.449 . . . . 0.0 111.027 -179.878 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 N-CA-C 111.656 -0.577 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -156.28 113.38 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 122.854 0.461 . . . . 0.0 109.823 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.29 64.93 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.481 -174.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -82.93 -15.25 52.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m 57.17 70.42 0.65 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.601 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -98.57 -169.84 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 111.91 0.78 Allowed 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -176.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.467 ' O ' HG22 ' B' ' 11' ' ' THR . 1.4 p -152.92 162.61 25.95 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.483 176.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.59 -18.14 63.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.281 1.988 . . . . 0.0 112.585 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -117.1 21.58 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.467 HG22 ' O ' ' B' ' 8' ' ' THR . 10.6 t -74.05 -29.14 61.75 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.41 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.426 HD22 HG23 ' B' ' 11' ' ' THR . 11.1 p30 -143.89 152.56 55.73 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.998 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -53.8 -31.61 62.62 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.011 2.474 . . . . 0.0 112.786 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.11 55.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.272 -0.49 . . . . 0.0 112.67 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.16 -32.29 64.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.711 -0.287 . . . . 0.0 110.688 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.57 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.74 -24.38 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.98 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.66 -27.17 66.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.828 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -63.03 -43.47 98.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.055 0.455 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -65.18 -44.51 88.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.894 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.405 ' HA ' ' CD ' ' B' ' 25' ' ' GLN . 22.7 m -68.01 -18.22 64.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 111.139 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' B' ' 27' ' ' LEU . 72.6 t80 -84.28 -55.64 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.416 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.57 -32.0 73.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.668 -176.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.405 ' CD ' ' HA ' ' B' ' 22' ' ' SER . 13.3 pt20 -64.4 -27.01 68.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 110.837 -178.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.22 -32.52 6.68 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.647 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.4 tp -68.23 -29.19 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.367 . . . . 0.0 111.037 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -69.99 -5.96 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -115.65 9.34 15.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.085 0.469 . . . . 0.0 110.481 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.99 141.68 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.0 -14.4 16.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.84 2.36 . . . . 0.0 112.416 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.15 -19.4 63.82 Favored Glycine 0 C--N 1.32 -0.308 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.795 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -126.64 171.22 11.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 111.841 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 23.9 p -114.77 163.48 15.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.318 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.32 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.551 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.4 p -65.98 -48.45 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' B' ' 41' ' ' MET . 28.5 mm-40 -63.87 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.223 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 34' ' ' THR . 89.5 mt -60.98 -35.98 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.68 -39.72 94.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.82 -38.45 58.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.877 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.2 ptp -74.71 -32.96 62.3 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.445 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -58.8 -40.19 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.202 0.525 . . . . 0.0 109.705 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -60.54 -35.12 75.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.543 HD12 HD11 ' B' ' 80' ' ' ILE . 48.6 mt -75.04 -43.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.477 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.96 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.798 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -72.32 -36.66 68.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 -33.68 75.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.518 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.486 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.6 mmm -73.19 -31.25 64.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.535 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -83.0 -36.68 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.812 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.0 -40.34 96.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.233 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.5 p -64.29 -45.65 87.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -57.89 -45.61 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.558 0.218 . . . . 0.0 110.677 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.39 -42.93 96.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.734 0.302 . . . . 0.0 111.379 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' B' ' 58' ' ' GLN . 47.1 m -63.58 -42.14 98.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 0.0 110.629 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.34 -34.43 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.52 92.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 54' ' ' SER . 96.0 mt-30 -82.1 -7.75 59.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 23.7 77.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.257 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -102.77 13.32 34.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.519 0.676 . . . . 0.0 109.851 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -91.67 134.95 34.25 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.945 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.499 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 12.8 m -144.25 162.89 37.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 11.5 Cg_endo -51.05 -47.69 24.53 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.78 2.32 . . . . 0.0 112.083 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.09 -20.98 37.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.371 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 0.0 OUTLIER -76.6 -37.03 57.12 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.242 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.8 -45.59 89.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.635 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' B' ' 69' ' ' LEU . . . -75.3 70.42 2.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 68' ' ' ALA . 9.9 mt 176.22 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.748 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -60.49 -43.08 97.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.484 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mmm -78.9 -32.96 45.97 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.879 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.34 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.222 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.486 ' N ' ' HE2' ' B' ' 48' ' ' MET . 49.1 t80 -65.02 -53.64 42.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.933 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.2 -36.91 73.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.473 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -77.67 -32.04 52.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 5.7 t -70.43 -33.06 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.478 0.656 . . . . 0.0 110.073 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.478 ' HE2' ' HA ' ' B' ' 77' ' ' MET . 17.0 mmt -73.9 -25.44 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.098 0.475 . . . . 0.0 109.819 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.02 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.85 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.2 pt-20 -65.14 -33.03 75.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.59 0.233 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.543 HD11 HD12 ' B' ' 44' ' ' ILE . 16.6 mt -72.72 -48.58 45.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.156 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.53 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.554 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.81 -11.78 56.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.4 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -88.64 -69.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.039 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -112.52 170.87 7.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.415 0.626 . . . . 0.0 112.368 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.523 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 10.1 pt-20 -163.25 -160.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.272 176.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.73 -64.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.5 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.71 -20.32 60.04 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -132.27 156.89 22.24 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 114.628 -0.786 . . . . 0.0 111.622 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -91.1 -176.63 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 0.8 OUTLIER -56.37 -45.81 80.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.072 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -66.98 -38.89 86.88 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.229 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -64.44 -50.3 68.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.37 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.523 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 17.4 ptpt -62.48 -35.5 79.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.775 -177.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 38.1 m -64.28 -47.45 79.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 46.2 t -62.14 -38.2 88.06 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 60.9 m -60.57 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.91 -45.25 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.583 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.6 79.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.555 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -65.35 -39.59 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.87 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.119 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -62.16 -42.58 99.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.296 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -61.38 -36.68 80.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.562 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.3 t30 -72.54 -40.58 66.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.912 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.07 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.781 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.596 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 51.3 m-85 -66.96 -33.82 76.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.78 -23.29 60.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 28.3 mm-40 -77.91 -48.54 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.161 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -72.84 -73.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.346 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' THR . . . . . 0.401 HG23 ' H ' ' B' ' 111' ' ' VAL . 2.8 t -92.65 -40.08 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.373 -175.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.87 12.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.878 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.2 p -149.35 151.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.404 HG12 ' H ' ' B' ' 114' ' ' GLN . 43.1 t -101.73 134.12 43.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 3.5 m-20 -61.76 -36.98 82.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.429 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.8 tt0 97.35 -73.39 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.106 1.363 . . . . 0.0 113.088 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 31.5 Cg_exo -59.9 -29.41 89.39 Favored 'Trans proline' 0 C--N 1.367 1.537 0 CA-C-N 121.986 1.745 . . . . 0.0 112.33 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.6 ' O ' HG12 ' B' ' 120' ' ' ILE . 44.5 t80 -52.79 -46.97 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.937 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.54 -38.62 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -74.01 -20.53 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.449 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -79.48 -31.9 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.872 0.367 . . . . 0.0 110.275 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -66.54 -38.95 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 46.5 p -63.01 -26.49 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.334 0.588 . . . . 0.0 110.732 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -78.41 -41.49 32.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.248 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.5 mt -56.68 -47.81 79.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.403 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.25 -30.69 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.073 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -84.56 -35.88 22.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.558 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 25.5 ptm -65.28 -52.5 53.86 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.214 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.43 -20.29 66.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.9 -20.31 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' B' ' 126' ' ' MET . 23.5 mt-30 -89.06 -34.63 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.418 . . . . 0.0 109.929 177.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -60.0 4.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.942 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.4 57.95 16.16 Favored Glycine 0 C--N 1.333 0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.862 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' MET . . . . . 0.444 ' HE2' ' HB2' ' B' ' 132' ' ' MET . 0.0 OUTLIER -80.35 17.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.401 0.619 . . . . 0.0 110.832 -175.487 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.69 -35.68 19.15 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.347 177.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -74.47 -28.41 61.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.223 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 m 44.78 24.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.424 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m 57.56 20.64 6.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.077 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.668 -178.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -108.42 -159.49 0.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.37 131.24 2.38 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.004 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -120.17 96.56 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.149 0.5 . . . . 0.0 110.731 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -104.22 111.27 23.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.535 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -87.06 155.1 20.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -73.09 138.76 46.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.457 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 2.3 p -153.75 158.88 32.58 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.079 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 36.5 Cg_exo -62.39 -15.19 43.55 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.307 2.004 . . . . 0.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -122.3 20.43 10.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.573 -175.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.457 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 12.5 t -75.88 -17.37 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.628 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.423 HD22 HG23 ' A' ' 11' ' ' THR . 11.4 p30 -151.96 154.88 33.22 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -80.48 18.29 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.332 2.688 . . . . 0.0 113.077 -174.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.19 -0.31 10.52 Favored Glycine 0 CA--C 1.503 -0.681 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -124.57 -31.94 3.18 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.648 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -59.93 -33.24 71.62 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.93 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.13 -18.86 62.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.232 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.42 -22.11 52.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.55 -57.31 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 111.121 -176.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -68.43 -49.19 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.491 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 42.7 m -64.37 -19.38 65.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.626 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 38.4 t80 -76.28 -63.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.243 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 10.4 ptm -80.26 -15.02 57.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -168.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 13.8 pt20 -60.42 -33.29 72.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.0 110.086 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.97 -18.48 43.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.522 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD23 ' SD ' ' A' ' 41' ' ' MET . 31.9 tp -73.09 -28.12 62.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.937 0.398 . . . . 0.0 110.657 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -71.66 5.34 2.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.784 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -120.07 7.11 10.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.036 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.5 mmt -93.77 139.51 22.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.913 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.69 -18.85 32.35 Favored 'Trans proline' 0 N--CA 1.472 0.26 0 C-N-CA 123.014 2.476 . . . . 0.0 113.03 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.19 96.8 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.671 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.66 163.38 12.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 0.0 111.456 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 71.5 p -110.58 166.15 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.975 176.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.26 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 111.519 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -70.66 -33.56 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 10.8 mm100 -89.3 6.43 40.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.531 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 34' ' ' THR . 4.6 mm? -105.44 5.44 31.63 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.917 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.57 -43.36 10.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.112 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.643 ' HA ' ' CD ' ' B' ' 65' ' ' LYS . 0.8 OUTLIER -67.7 -50.19 58.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.693 ' SD ' HD23 ' A' ' 27' ' ' LEU . 43.6 ttm -59.94 -39.68 86.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.214 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 23.6 p -66.08 -35.98 81.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.2 m -61.64 -36.6 81.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.497 HD13 ' OG ' ' A' ' 76' ' ' SER . 59.0 mt -74.15 -37.03 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.821 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.16 81.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.424 HE22 HD21 ' B' ' 55' ' ' LEU . 0.9 OUTLIER -90.59 -9.84 45.57 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 68.5 p -84.13 -39.65 19.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.105 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -64.86 -33.21 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.93 -34.83 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.307 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.68 -36.29 83.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 m -59.84 -55.73 30.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.946 174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 68.2 mt -55.91 -52.57 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.926 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -65.19 -36.12 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.408 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.1 m -71.65 -40.66 69.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 51' ' ' SER . 90.8 mt -62.84 -35.95 81.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.706 0.288 . . . . 0.0 110.361 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HA ' ' OG1' ' A' ' 61' ' ' THR . . . -65.76 -48.04 73.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.743 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.13 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 99.5 mt-30 -88.4 0.88 55.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.603 -177.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 41.79 55.25 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 114.525 0.57 . . . . 0.0 114.525 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.494 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.25 18.61 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.35 0.575 . . . . 0.0 111.037 176.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -88.69 139.56 30.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.943 0.401 . . . . 0.0 111.765 178.777 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.498 ' OG ' ' HE2' ' A' ' 65' ' ' LYS . 36.3 p -150.82 152.04 31.23 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.47 -38.1 43.24 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.327 2.684 . . . . 0.0 113.592 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -73.21 -40.4 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HE2' ' OG ' ' A' ' 62' ' ' SER . 53.4 mtmt -78.52 -24.17 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.42 -33.58 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.497 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.2 tt0 -69.26 -39.86 78.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.231 176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.628 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . . . -57.28 -36.01 70.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.379 0.609 . . . . 0.0 110.647 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -74.8 -1.66 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 4.6 m-20 -86.4 -50.46 6.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.561 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 86.6 mmm -70.55 -37.4 74.02 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.994 0.426 . . . . 0.0 110.268 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 77' ' ' MET . 82.5 t80 -71.8 -47.24 54.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.298 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.56 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.416 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.402 . . . . 0.0 110.247 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.544 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 12.3 t -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.724 0.774 . . . . 0.0 110.048 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' ' HG3' ' A' ' 41' ' ' MET . 20.7 mmt -73.99 -30.36 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.947 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.79 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.802 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.544 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 14.1 pt-20 -64.0 -37.63 88.14 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.628 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 44' ' ' ILE . 11.3 mt -65.27 -52.4 52.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.432 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.39 77.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.77 82.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.325 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -66.78 -60.89 2.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.899 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.99 159.73 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.357 0.598 . . . . 0.0 112.1 -171.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -160.05 -164.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.695 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -34.2 0.74 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.996 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.76 -41.27 5.71 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.53 167.33 23.57 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.724 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -81.5 -177.69 6.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.469 0.176 . . . . 0.0 110.555 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 65.6 tp -50.97 -40.69 58.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.115 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -45.06 93.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.419 0.628 . . . . 0.0 110.454 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -68.95 -51.23 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.628 -174.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 60.6 pttt -66.7 -31.31 71.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.757 0.313 . . . . 0.0 111.404 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -72.16 -43.6 64.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.368 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.4 t -65.44 -34.24 77.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.524 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.9 m -57.71 -44.17 85.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.626 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.19 -50.48 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.53 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.8 t -65.25 -44.28 88.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.65 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.387 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.2 mmt -61.45 -42.82 99.36 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.475 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.517 ' HA ' HG21 ' A' ' 112' ' ' VAL . 22.9 m -63.52 -34.22 77.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.319 0.581 . . . . 0.0 110.07 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.579 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.7 t30 -67.83 -44.67 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.807 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.36 68.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 34.8 m-85 -66.09 -37.08 84.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.386 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.2 mt -70.01 -22.94 63.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.741 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.6 mm-40 -82.76 -37.89 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -62.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.792 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.9 p -101.06 -44.56 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.781 0.325 . . . . 0.0 111.597 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.98 4.11 19.08 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.3 p -142.27 147.41 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 102' ' ' SER . 2.6 p -121.37 133.48 67.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.902 0.382 . . . . 0.0 111.35 -175.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.27 117.55 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.855 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.44 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 59.4 tt0 -65.1 -55.59 25.72 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.3 Cg_endo -56.01 -34.54 92.6 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.178 1.918 . . . . 0.0 112.731 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 63.4 t80 -53.5 -48.77 68.68 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.769 176.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.28 -32.22 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.926 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -70.81 -45.63 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.749 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.3 mm -59.12 -37.66 69.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.599 -177.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.6 p -65.64 -23.32 66.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 111.318 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.7 -35.56 62.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.425 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.74 -48.14 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.105 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.67 -33.0 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.79 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.8 t -71.86 -44.76 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.248 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.4 ptm -70.1 -40.28 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -66.6 -20.7 66.07 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.466 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -82.1 -22.28 36.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.993 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -62.15 -53.03 61.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.175 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.79 29.62 61.83 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.397 -0.819 . . . . 0.0 113.87 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -78.93 6.04 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.874 0.845 . . . . 0.0 110.755 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.22 -30.23 11.23 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.739 177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -89.18 -45.37 9.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m 39.36 38.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 124.501 1.126 . . . . 0.0 113.188 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.1 p 49.73 31.9 4.78 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.008 0.923 . . . . 0.0 112.595 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.764 179.278 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -102.35 26.85 7.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.137 0.494 . . . . 0.0 110.2 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.49 31.22 6.53 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -133.68 49.51 2.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 0.0 110.325 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -91.81 159.01 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.653 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -112.48 163.96 13.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.923 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -94.38 145.26 24.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 111.302 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 11' ' ' THR . 7.9 p -147.79 157.77 43.51 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.142 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.22 -6.25 14.32 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.294 1.996 . . . . 0.0 112.667 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 17.5 p90 -128.77 12.62 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.517 HG22 ' O ' ' B' ' 8' ' ' THR . 9.3 t -77.15 -16.07 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.575 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.445 HD22 HG23 ' B' ' 11' ' ' THR . 10.2 p30 -149.58 150.66 31.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.616 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 51.5 Cg_exo -55.78 -33.57 88.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.921 2.414 . . . . 0.0 112.671 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.79 -54.65 35.65 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.887 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.78 -34.8 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.547 -0.384 . . . . 0.0 110.773 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.93 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 11.1 pt-20 -71.88 -40.15 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.706 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.25 -32.88 74.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.478 0.18 . . . . 0.0 111.141 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.425 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 21.6 ptp -78.64 -26.53 45.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.327 -175.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -66.03 -48.36 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.183 0.516 . . . . 0.0 110.191 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 15.7 m -74.34 -10.74 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.979 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.58 -53.46 10.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.339 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' B' ' 42' ' ' SER . 25.7 mtp -71.65 -23.3 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.857 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 22' ' ' SER . 8.2 pt20 -62.06 -33.4 74.33 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.6 -26.12 21.18 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.518 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.04 -33.85 75.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.372 . . . . 0.0 110.33 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -67.0 -6.58 17.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -111.26 11.29 21.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.977 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -101.15 135.22 19.96 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.15 -22.18 35.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 123.279 2.653 . . . . 0.0 113.561 -175.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.47 -21.34 77.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.772 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -105.9 159.52 15.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.315 0.579 . . . . 0.0 112.121 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 60.7 p -117.32 167.14 11.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.834 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.06 69.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -61.01 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.465 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' B' ' 41' ' ' MET . 63.7 mm-40 -70.4 -30.81 67.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.173 0.511 . . . . 0.0 110.85 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.54 11.23 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.983 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.15 -42.13 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.816 172.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -80.56 -54.5 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.052 -175.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 12.4 ptm -67.77 -24.39 65.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -174.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.422 ' HA ' ' SD ' ' B' ' 24' ' ' MET . 12.9 m -65.11 -22.75 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 52.4 m -71.67 -37.03 70.83 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.688 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.546 HD12 HD11 ' B' ' 80' ' ' ILE . 36.8 mt -77.06 -32.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.7 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 0.0 110.777 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.7 pt20 -77.98 -22.63 49.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.036 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 28.0 t -64.14 -43.65 94.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' ILE . 72.6 mmm -64.85 -45.97 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.716 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' B' ' 46' ' ' GLN . 5.2 m -64.35 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -67.73 -29.28 68.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.83 0.348 . . . . 0.0 110.74 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 22.2 m -75.58 -45.79 35.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 48' ' ' MET . 82.1 mt -61.19 -50.14 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.297 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 14.3 pt20 -61.71 -38.13 86.74 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.623 0.249 . . . . 0.0 111.253 -177.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -66.9 -37.45 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 51' ' ' SER . 67.5 mt -66.77 -36.58 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.52 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.73 87.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.12 74.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.158 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -87.28 2.43 50.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.358 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.19 42.64 99.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.912 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -104.21 -6.86 20.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.403 . . . . 0.0 109.978 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 18.6 p -87.46 166.25 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.585 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.524 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 81.5 p -169.01 162.22 7.86 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 13.6 Cg_endo -51.51 -40.7 62.88 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.204 2.603 . . . . 0.0 112.936 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -87.92 -21.31 25.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.099 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.643 ' CD ' ' HA ' ' A' ' 40' ' ' ASP . 51.8 mtmt -92.02 -15.88 27.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.323 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -77.31 -35.18 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.827 0.346 . . . . 0.0 110.787 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.74 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.477 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -68.49 -8.44 41.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.024 0.44 . . . . 0.0 111.739 -176.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -102.02 12.92 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -92.18 -54.2 3.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' MET . . . . . 0.528 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 94.8 mmm -69.41 -36.68 76.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.949 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.7 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.427 0.454 . . . . 0.0 110.765 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -69.13 -51.92 33.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.553 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.01 72.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.635 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 31.5 t -75.79 -38.82 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' B' ' 79' ' ' GLU . 12.2 t -68.12 -31.26 70.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.218 0.532 . . . . 0.0 110.163 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 30.5 mmt -66.67 -39.91 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.289 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.34 86.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.992 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.628 ' OE2' ' HA ' ' A' ' 68' ' ' ALA . 31.2 tt0 -53.99 -59.49 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.855 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.546 HD11 HD12 ' B' ' 44' ' ' ILE . 16.9 mt -59.39 -42.42 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.54 92.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.426 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' B' ' 90' ' ' LEU . . . -81.32 -23.59 37.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.425 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.15 -44.26 96.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.848 0.356 . . . . 0.0 111.647 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.39 159.54 35.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.96 -153.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.65 -155.08 6.53 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.219 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.08 -12.21 71.41 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.79 -112.51 3.71 Favored Glycine 0 N--CA 1.438 -1.222 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.681 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -131.51 150.78 52.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.596 0.236 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' B' ' 82' ' ' ALA . 58.5 tp -58.66 -42.29 88.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -63.62 -22.68 67.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.459 -178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.3 m -70.47 -28.67 65.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.18 -36.24 81.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -55.73 -49.58 72.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.046 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 35.6 t -68.44 -36.13 78.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.53 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 52.0 m -59.98 -50.03 75.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.63 -48.4 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -44.36 78.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 111.146 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 58.6 m -62.89 -49.17 75.88 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.282 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.49 65.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.804 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.9 mmt -64.01 -45.03 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.16 0.505 . . . . 0.0 109.791 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.7 m -61.1 -38.61 86.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.987 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.3 t30 -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.773 176.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.05 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.464 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.3 m-85 -64.67 -37.09 86.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.031 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -22.57 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 70.2 mm-40 -83.87 -18.76 36.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -107.99 -70.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -88.42 -47.77 8.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.264 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.07 10.59 17.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.452 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.9 p -143.77 146.39 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.06 124.48 59.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.944 0.402 . . . . 0.0 111.245 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -85.07 97.98 10.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.37 -42.74 97.52 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.69 -38.24 36.54 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.942 1.761 . . . . 0.0 112.506 174.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.581 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.2 t80 -66.45 -53.39 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.044 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.02 -42.0 84.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.473 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -62.95 -39.99 96.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.559 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 17.6 mm-40 -73.4 -28.1 61.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.605 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 116' ' ' PHE . 48.4 mm -61.79 -38.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 75.2 p -60.25 -41.62 93.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.12 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -66.35 -35.9 81.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.517 ' O ' ' HG2' ' B' ' 126' ' ' MET . 93.9 mt -57.85 -46.45 84.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.96 -42.54 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.025 0.44 . . . . 0.0 110.474 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 15.9 p -87.57 14.0 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.1 ptm -116.48 -39.62 3.33 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.223 176.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.0 -23.55 65.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.088 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.27 76.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.406 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.1 mp0 -75.08 -24.76 58.21 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.206 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.88 -50.29 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.069 0.461 . . . . 0.0 109.938 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.07 2.1 61.28 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.894 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.6 -2.41 19.83 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.357 0.579 . . . . 0.0 111.864 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.497 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 12.1 p30 -106.3 -22.72 12.75 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.992 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -101.56 -43.78 5.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.242 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m 41.91 30.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 124.633 1.208 . . . . 0.0 113.758 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.7 p 40.88 63.56 1.15 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.573 0.749 . . . . 0.0 112.392 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.301 176.565 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p -87.01 31.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.697 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.77 72.96 2.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.632 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -87.55 -79.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -69.56 109.98 4.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 0.0 112.105 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -139.04 172.16 13.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.182 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 t -66.02 142.43 57.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.483 0.659 . . . . 0.0 111.45 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.558 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -144.6 155.1 56.84 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.386 178.505 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 22.7 Cg_exo -65.83 -7.06 15.54 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.397 2.065 . . . . 0.0 112.587 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 19.6 p90 -134.47 24.3 3.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.594 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.582 HG23 ' OD1' ' A' ' 12' ' ' ASN . 7.4 t -71.9 -38.08 70.0 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.617 0.246 . . . . 0.0 111.585 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.582 ' OD1' HG23 ' A' ' 11' ' ' THR . 2.1 p-10 -157.14 161.49 29.34 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 12' ' ' ASN . 51.3 Cg_endo -68.15 37.99 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.375 2.717 . . . . 0.0 113.452 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.02 2.19 6.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 175.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.74 -34.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.865 -0.667 . . . . 0.0 110.298 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -57.0 -37.31 71.48 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.069 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.65 22.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.336 0.589 . . . . 0.0 110.956 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.6 -22.49 65.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.306 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.41 -51.0 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.549 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' MET . 2.0 mpt? -60.94 -46.16 91.79 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.448 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 41.7 m-80 -57.57 -48.51 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.09 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.56 -44.91 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 84.2 t80 -58.88 -48.96 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.267 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 20' ' ' MET . 75.8 mmm -60.01 -37.89 81.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 93.1 mt-30 -66.27 -42.48 88.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.52 73.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.294 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 tp -68.92 -29.45 67.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.673 0.273 . . . . 0.0 111.317 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -69.02 -6.48 28.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.756 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -110.83 13.97 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.885 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.45 146.1 31.43 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.14 -20.15 11.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.23 2.62 . . . . 0.0 113.467 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 -3.49 88.7 Favored Glycine 0 C--N 1.319 -0.366 0 C-N-CA 121.039 -0.601 . . . . 0.0 114.53 -171.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 27' ' ' LEU . 33.0 m-85 -119.4 168.58 10.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.772 0.786 . . . . 0.0 112.725 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 38' ' ' LEU . 80.9 p -110.77 -174.26 2.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.418 -177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.36 -18.2 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.3 p -88.16 -48.73 7.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.552 -176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.7 mp0 -57.26 -34.95 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.097 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 34' ' ' THR . 2.0 mm? -62.16 -32.5 73.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.237 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.71 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.521 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -56.35 -50.12 72.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 7.5 ptp -73.98 -35.89 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.378 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -60.64 -36.18 78.0 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.358 0.599 . . . . 0.0 109.472 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 m -65.16 -47.11 78.17 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.632 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.52 HD12 HD11 ' A' ' 80' ' ' ILE . 50.3 mt -62.81 -38.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.848 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.43 2.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.67 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -60.12 -39.1 85.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.921 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.451 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 22.5 m -59.46 -41.69 90.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.945 0.402 . . . . 0.0 110.721 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' HG13 ' A' ' 52' ' ' ILE . 71.5 mmm -72.78 -45.8 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.758 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.98 -51.25 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.555 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.66 -40.94 96.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.67 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.3 m -61.54 -42.15 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.503 0.192 . . . . 0.0 110.791 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 48' ' ' MET . 63.0 mt -57.05 -48.55 81.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.964 0.412 . . . . 0.0 110.867 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -68.79 -29.04 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m -71.17 -33.31 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.337 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 51' ' ' SER . 73.7 mt -68.13 -33.55 74.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.107 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.54 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.035 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.26 -21.44 62.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -100.76 -13.91 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.62 36.88 11.2 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.876 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -115.46 11.92 16.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 176.057 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.75 126.88 31.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.323 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 m -152.77 154.23 31.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.8 Cg_endo -49.7 -54.29 5.69 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.107 2.538 . . . . 0.0 112.935 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.42 -39.14 92.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.556 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -63.13 -45.35 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.264 0.554 . . . . 0.0 110.445 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.05 -35.51 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.14 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -58.61 -42.12 87.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.95 86.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.998 0.428 . . . . 0.0 110.393 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 mt -68.55 -32.42 72.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -48.14 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.73 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.931 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -51.65 -39.83 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.742 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -70.3 -45.17 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.39 -37.83 87.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.242 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -71.52 -39.72 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.348 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 5.5 p -69.71 -30.5 68.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.441 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -64.64 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -44.65 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.204 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 72.1 tt0 -55.02 -56.91 14.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.067 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 HD12 ' A' ' 44' ' ' ILE . 40.1 mt -56.11 -45.94 80.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.84 70.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.202 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.304 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -68.4 -79.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.37 163.83 12.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -161.32 165.8 28.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.053 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.03 -86.66 0.1 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.36 17.09 59.04 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.69 118.96 2.74 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 10.3 m -72.75 173.0 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 5.7 tt -50.72 -46.99 59.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -62.85 -43.93 97.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -64.12 -52.31 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.427 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.5 pttt -67.69 -32.29 72.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.3 m -68.22 -46.38 70.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 0.0 110.701 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 m -65.81 -32.14 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -61.08 -43.44 98.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.765 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.2 -45.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.607 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.0 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.215 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -79.06 -23.45 44.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.055 0.455 . . . . 0.0 110.806 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.453 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 24.4 mmt -75.15 -47.65 27.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.283 176.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -63.83 -38.31 90.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.626 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.571 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.8 OUTLIER -76.7 -21.8 54.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.397 -178.084 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.45 -38.32 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.994 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.6 m-85 -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 110.856 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.38 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.144 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.4 mm-40 -84.63 -43.33 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.862 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -78.94 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 111.744 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.3 p -95.5 -45.99 6.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.981 0.419 . . . . 0.0 111.114 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.61 1.69 27.49 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.4 p -138.84 148.32 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.1 125.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.097 0.475 . . . . 0.0 110.91 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.42 108.72 15.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.592 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.3 tt0 -61.65 -41.24 76.94 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 87.8 Cg_exo -44.05 -41.66 12.59 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.471 2.114 . . . . 0.0 113.011 174.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 120' ' ' ILE . 87.6 t80 -63.65 -46.29 86.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.46 -33.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.832 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.63 -27.93 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.766 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -86.19 -30.89 22.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.0 mm -59.13 -39.38 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.226 -178.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.4 p -63.99 -34.43 77.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -72.65 -27.77 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.958 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.72 -50.61 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.529 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.3 t -62.03 -35.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.41 0.624 . . . . 0.0 110.021 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -69.56 -45.62 68.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.518 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.96 -38.62 83.0 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.28 -19.27 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.648 0.261 . . . . 0.0 111.377 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.85 94.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.275 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -78.51 -26.55 45.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.724 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.68 -58.19 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.486 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.96 70.2 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 113.085 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -78.71 7.55 6.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 111.072 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.7 OUTLIER -97.58 -33.33 11.38 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.89 177.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.29 -46.37 11.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.915 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.9 m 37.83 36.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 124.478 1.111 . . . . 0.0 113.836 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 24.7 t 60.41 25.72 15.28 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.636 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.711 179.817 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -150.8 130.51 13.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.555 0.217 . . . . 0.0 110.577 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.34 127.84 3.02 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.138 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -61.4 -49.25 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 0.0 110.592 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -143.36 139.15 29.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.92 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -64.84 -54.74 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -171.96 150.45 2.57 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.131 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 p -147.62 146.63 25.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.827 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.22 -25.11 57.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.122 1.881 . . . . 0.0 111.912 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' TRP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 16' ' ' ALA . 15.3 p90 -97.1 17.51 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.544 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.41 HG23 HD22 ' B' ' 12' ' ' ASN . 14.9 t -72.41 -16.7 61.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.41 HD22 HG23 ' B' ' 11' ' ' THR . 11.0 p30 -151.84 148.6 21.99 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.62 48.67 2.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.403 2.735 . . . . 0.0 112.878 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.54 -41.2 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -76.21 -37.71 57.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.683 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' B' ' 10' ' ' TRP . . . -53.88 -41.6 67.72 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -174.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -13.47 61.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -72.04 -22.18 61.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 110.416 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -63.36 -50.07 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.545 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 20' ' ' MET . 1.9 mpt? -58.83 -45.45 89.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.531 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 52.8 m-80 -61.61 -50.97 70.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -62.08 -38.95 90.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.931 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.66 -49.81 75.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.7 mt-30 -63.71 -46.81 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.478 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.12 -39.17 63.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' B' ' 33' ' ' PHE . 28.9 tp -66.94 -31.32 71.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.804 0.335 . . . . 0.0 111.249 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -5.17 37.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 110.826 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -105.79 14.87 27.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.323 0.582 . . . . 0.0 109.685 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.2 mmt -102.73 144.33 28.4 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.743 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -23.49 24.23 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.013 2.475 . . . . 0.0 112.889 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . 0.487 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -66.43 -32.23 81.18 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.374 -176.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' B' ' 27' ' ' LEU . 74.8 m-85 -107.9 138.03 44.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 0.0 111.497 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.54 HG23 ' HA3' ' B' ' 86' ' ' GLY . 6.5 p -87.77 159.15 18.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.854 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -12.75 14.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.8 p -105.47 -16.37 14.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.43 0.633 . . . . 0.0 109.814 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.414 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 24.0 tp60 -77.83 -29.17 50.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.084 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.77 -23.74 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.711 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.08 -39.19 88.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.25 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -72.39 -37.32 68.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.448 ' HB2' ' CE ' ' B' ' 77' ' ' MET . 6.7 ptm -87.7 -21.44 25.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.4 t -65.38 -28.89 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.0 m -59.05 -45.25 91.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.427 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mt -71.94 -33.26 47.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.684 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.28 -55.93 15.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.36 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -63.6 -34.36 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.194 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 36.7 m -61.62 -42.56 99.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.882 0.372 . . . . 0.0 110.635 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.3 mmm -73.56 -38.25 65.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.3 t -59.06 -57.09 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.772 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.99 -30.92 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.465 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 32.2 t -60.15 -45.38 93.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.048 0.451 . . . . 0.0 110.176 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.89 -43.03 98.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.641 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 4.5 mm100 -62.29 -39.13 91.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.618 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -66.94 -36.73 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.963 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.14 -36.21 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.976 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.78 81.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.54 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.44 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -82.03 -14.96 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 49.45 5.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.617 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 73.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -116.03 131.75 56.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' B' ' 65' ' ' LYS . 11.5 m -154.83 154.99 29.92 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.73 -45.77 34.36 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.83 2.353 . . . . 0.0 111.972 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -81.0 0.95 33.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.349 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 7.0 tppt? -98.7 -40.17 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.47 -25.76 45.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.053 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.3 tt0 -58.07 -44.6 87.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.807 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.27 -3.43 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' B' ' 10' ' ' TRP . 1.0 OUTLIER -90.91 -48.93 6.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.548 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.29 -40.76 90.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.07 -43.72 78.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.784 0.326 . . . . 0.0 110.659 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' B' ' 48' ' ' MET . 58.8 t80 -64.56 -46.89 80.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.287 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.37 -35.7 78.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -69.87 -41.63 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.235 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.686 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 74.6 p -73.54 -3.8 30.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.613 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.7 mmt -103.03 -6.84 21.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.89 -52.02 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.795 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -70.82 -32.28 69.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.96 -175.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mt -58.36 -47.46 87.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' B' ' 97' ' ' ILE . . . -75.34 -38.61 60.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.391 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.82 63.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -79.22 -62.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -79.14 148.82 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.004 0.43 . . . . 0.0 111.726 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -158.96 157.86 32.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.057 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLY . . . . . 0.54 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -127.17 -87.94 0.62 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.509 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.85 -19.27 44.24 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.338 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLY . . . . . 0.487 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -108.57 151.1 17.08 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.2 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 16.2 m -92.64 -172.88 3.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.477 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.9 tp -57.64 -35.76 70.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.781 0.325 . . . . 0.0 110.99 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p -80.4 -2.8 47.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -107.42 -53.31 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.113 0.482 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 50.5 pttt -65.48 -30.67 71.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.753 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 35.8 m -64.94 -45.32 86.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.776 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -67.47 -30.73 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 0.0 110.284 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.597 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' B' ' 81' ' ' ALA . 62.8 mt -65.91 -43.01 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.66 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.67 -48.46 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -67.79 -42.57 81.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ALA . . . . . 0.532 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -63.47 -33.74 76.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.025 0.44 . . . . 0.0 111.164 -179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.86 -46.43 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.436 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.4 p -67.33 -32.53 73.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.046 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 0.9 OUTLIER -81.17 -23.21 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.301 -178.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.23 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.5 m-85 -63.95 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.49 -10.69 59.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 65.3 mm-40 -96.51 -19.81 18.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.334 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.88 -70.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.6 p -92.82 -34.13 13.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.168 0.508 . . . . 0.0 111.058 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 5.38 49.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.6 p -136.91 147.59 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.899 -0.65 . . . . 0.0 109.45 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.93 125.72 73.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.224 0.535 . . . . 0.0 110.839 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.84 120.96 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.814 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 62.8 tt0 -58.87 -50.29 88.79 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.04 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 52.6 Cg_endo -68.98 15.95 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.473 2.115 . . . . 0.0 113.51 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' PHE . . . . . 0.623 ' O ' HG12 ' B' ' 120' ' ' ILE . 42.7 t80 -106.96 -52.39 2.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 169.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.48 -36.42 77.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.053 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.459 ' OD1' ' HA ' ' B' ' 115' ' ' PRO . 33.5 p-10 -67.34 -31.9 72.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.21 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.41 -32.5 42.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.745 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.2 mm -62.45 -43.5 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.191 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -63.67 -33.94 76.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.499 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -72.06 -32.28 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.706 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.47 -50.46 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.404 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 120' ' ' ILE . 39.4 t -57.61 -41.77 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 4.1 p -73.86 -37.19 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.024 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -72.68 -31.59 65.17 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -73.17 0.27 12.2 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 120.688 0.28 . . . . 0.0 111.458 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.01 -41.81 25.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.212 0.529 . . . . 0.0 110.056 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -77.36 -15.59 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.12 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.55 81.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.89 -26.07 4.99 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.554 173.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -77.03 -5.63 49.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.499 0.666 . . . . 0.0 111.261 -176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ASN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -84.89 -38.54 19.3 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.067 178.044 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' B' ' 136' ' ' SER . 13.8 t70 -69.64 -30.64 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.56 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 134' ' ' ASP . 25.8 m 58.71 -27.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 126.13 1.772 . . . . 0.0 114.579 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 134' ' ' ASP . 17.4 m 57.48 32.63 22.1 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.412 0.685 . . . . 0.0 111.755 175.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.293 -178.861 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 11' ' ' THR . 1.7 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HG3' ' CE1' ' A' ' 105' ' ' PHE . 57.4 Cg_endo -71.63 0.44 6.96 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.23 1.954 . . . . 0.0 112.623 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -130.12 18.45 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.435 HG23 HD22 ' A' ' 12' ' ' ASN . 13.9 t -76.87 -15.21 59.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.435 HD22 HG23 ' A' ' 11' ' ' THR . 12.1 p30 -153.35 152.4 27.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.5 Cg_exo -53.09 -36.01 74.84 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.921 2.414 . . . . 0.0 112.883 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.34 -56.56 23.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.55 -30.49 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.532 -0.393 . . . . 0.0 110.76 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.11 90.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 9.8 pt-20 -75.62 -28.74 58.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.6 -22.32 60.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.032 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -55.62 -55.64 29.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.391 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -27.42 60.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.327 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -67.68 -47.11 70.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -78.45 -9.51 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.068 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -85.52 -50.97 6.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.05 -35.43 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.67 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -64.57 -29.98 71.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.14 -37.85 6.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.878 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.44 -26.78 67.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -66.52 -12.09 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -112.98 16.33 19.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.905 0.383 . . . . 0.0 110.434 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -94.03 139.61 22.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.566 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.94 -27.84 25.12 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.095 2.53 . . . . 0.0 113.512 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.17 -1.19 87.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.675 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.55 154.14 32.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.692 0.758 . . . . 0.0 112.738 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 21.4 p -115.82 162.76 16.84 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.542 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.68 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -55.47 -47.27 76.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.538 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.644 ' O ' ' HG2' ' A' ' 41' ' ' MET . 49.3 mt-30 -67.54 -46.17 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 34' ' ' THR . 96.5 mt -57.63 -38.76 75.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.84 -175.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.86 -43.34 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.263 0.554 . . . . 0.0 110.899 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 3.5 t70 -69.47 -45.45 68.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.751 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.644 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 8.3 ptp -74.58 -30.06 61.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 p -66.96 -28.88 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 109.525 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.9 m -64.56 -44.94 89.16 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.957 174.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 80' ' ' ILE . 48.5 mt -68.47 -33.81 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.686 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.33 -49.76 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -74.95 -17.83 60.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.844 0.354 . . . . 0.0 111.279 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 51.0 m -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.906 0.384 . . . . 0.0 110.433 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 52' ' ' ILE . 95.1 mmm -68.23 -45.8 72.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.761 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 46' ' ' GLN . 22.0 m -65.22 -37.77 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.75 0.309 . . . . 0.0 110.833 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -67.0 -30.3 70.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.574 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.6 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 47.2 t -69.47 -43.05 74.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 0.0 110.146 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 48' ' ' MET . 80.4 mt -62.84 -51.01 77.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.0 pt20 -63.73 -31.29 72.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.19 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 66.2 m -63.52 -45.3 91.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.116 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.1 -36.36 83.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.23 86.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.78 73.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.631 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 26.9 mt-30 -78.99 -20.46 49.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.04 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.12 30.14 43.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.164 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 42.4 mtp180 -109.66 6.64 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.051 0.453 . . . . 0.0 110.488 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.68 123.54 25.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.25 0.547 . . . . 0.0 111.863 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -144.77 155.34 56.17 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.46 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.21 -33.03 62.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.175 2.583 . . . . 0.0 113.195 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.9 -54.64 31.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.582 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD3' HG21 ' B' ' 43' ' ' THR . 55.0 mttm -65.45 -36.8 84.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.901 -177.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.395 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.614 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -67.71 -42.95 81.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 176.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.81 93.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.764 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.23 -31.22 69.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -45.5 93.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.6 mmm -70.78 -39.17 73.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.754 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -54.47 -39.49 67.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 77' ' ' MET . 84.4 t80 -71.54 -46.67 58.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 177.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.63 78.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.014 0.435 . . . . 0.0 111.272 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -73.95 -39.85 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.065 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.466 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 7.7 p -69.72 -36.43 75.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.788 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.5 mmt -64.2 -40.58 96.37 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.5 93.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.192 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 75.0 tt0 -55.07 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.283 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.51 HD11 HD12 ' A' ' 44' ' ' ILE . 37.1 mt -49.21 -45.55 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 O-C-N 123.519 0.512 . . . . 0.0 111.58 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -46.29 63.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.022 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 127' ' ' PHE . . . -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.024 -177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 44.9 m -55.28 -68.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.253 0.346 . . . . 0.0 110.711 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 83' ' ' SER . 12.6 mt-10 -167.55 133.31 2.04 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.778 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -91.36 -32.46 15.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.394 1.092 . . . . 0.0 110.478 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 -52.16 3.71 Favored Glycine 0 C--N 1.294 -1.786 0 CA-C-N 113.382 -1.735 . . . . 0.0 112.435 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.11 51.75 0.85 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.173 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.31 -134.44 2.17 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.237 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 48.0 t -155.81 151.45 27.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 46.1 tp -54.83 -42.25 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.554 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 p -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.423 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -58.91 -42.53 89.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.946 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 90' ' ' LEU . 19.2 pttp -68.32 -36.63 79.58 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -65.14 -42.48 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 110.474 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.7 t -65.32 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.286 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.846 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.1 -45.7 95.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.861 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -47.59 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 111.23 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -66.43 -38.9 88.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.52 -32.57 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.415 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 21.7 mmt -63.43 -50.25 70.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.987 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -56.92 -35.59 69.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.401 0.62 . . . . 0.0 109.797 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.3 t30 -63.05 -45.5 91.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.138 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.46 89.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.497 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.458 ' CE1' ' HG3' ' A' ' 9' ' ' PRO . 72.9 m-85 -65.17 -34.73 79.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.91 -15.49 58.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.4 mm-40 -88.36 -30.35 19.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -82.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.9 t -84.46 -33.05 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.26 13.85 25.68 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.624 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -149.44 151.0 13.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 114' ' ' GLN . 21.6 t -107.47 136.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 19.2 m120 -63.6 -36.54 84.14 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.928 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.584 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 7.3 tp60 103.77 -64.67 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.253 1.421 . . . . 0.0 113.092 175.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 17.3 Cg_exo -66.95 -22.98 47.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 121.351 1.518 . . . . 0.0 111.83 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 120' ' ' ILE . 30.6 t80 -53.21 -52.19 59.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.37 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.3 mm -60.9 -38.91 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.675 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -63.97 -45.04 90.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.755 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 52.9 mm-40 -65.88 -32.94 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -177.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 116' ' ' PHE . 48.1 mm -63.33 -35.94 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.147 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.6 p -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.066 0.46 . . . . 0.0 110.587 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.494 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 10.1 mt-30 -71.33 -43.45 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.294 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.79 -49.1 78.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.088 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 120' ' ' ILE . 4.1 t -68.68 -12.31 15.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.5 m -116.55 4.32 13.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.1 ptm -104.15 -43.66 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.379 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 38.9 m-85 -65.61 -20.0 66.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -176.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.91 90.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.5 mp0 -74.27 -33.21 63.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.52 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.27 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.91 40.76 99.29 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.198 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -85.6 15.84 4.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.858 0.837 . . . . 0.0 110.321 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.313 -0.986 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.831 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.453 ' O ' HG22 ' B' ' 11' ' ' THR . 1.6 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.52 2.23 2.09 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.403 2.068 . . . . 0.0 112.619 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -139.73 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.447 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 8' ' ' THR . 8.8 t -77.85 -22.41 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.055 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.97 152.8 37.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.18 -35.78 43.98 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.486 2.791 . . . . 0.0 113.352 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.04 71.22 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.818 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.76 0.314 . . . . 0.0 110.581 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.89 67.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.69 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.556 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 12.2 pt-20 -68.81 -33.08 73.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.11 0.481 . . . . 0.0 110.639 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.38 -27.03 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.68 -59.48 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.612 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.7 OUTLIER -71.65 -26.94 62.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.397 -174.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 22.7 m-80 -65.69 -52.34 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.665 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 44.5 p -68.67 -29.74 68.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 111.015 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -59.0 -49.91 76.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 20' ' ' MET . 81.9 mmm -62.55 -36.14 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 86.8 mt-30 -60.7 -42.79 97.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.397 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.2 -37.14 29.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.451 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.457 HD11 ' CE1' ' B' ' 33' ' ' PHE . 34.6 tp -66.49 -31.46 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -177.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.5 t -67.12 -9.24 37.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -109.78 16.48 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.121 0.486 . . . . 0.0 110.068 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -101.17 134.19 20.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.56 -23.47 36.95 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.187 2.591 . . . . 0.0 113.037 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.55 -7.11 87.15 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.072 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' B' ' 27' ' ' LEU . 29.0 m-85 -116.77 159.14 22.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.531 0.681 . . . . 0.0 112.15 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.1 p -124.42 169.1 12.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.447 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.93 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m -60.09 -43.44 95.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.675 ' O ' ' HG3' ' B' ' 41' ' ' MET . 50.7 mt-30 -66.54 -53.98 28.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.443 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.75 -35.3 66.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.684 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.25 -45.4 94.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.016 0.436 . . . . 0.0 110.882 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.56 -44.88 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.258 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' B' ' 37' ' ' GLN . 36.5 mtp -65.42 -34.04 77.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.972 -174.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -67.18 -14.86 63.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.555 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 13.2 m -73.22 -42.31 62.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -66.74 -37.38 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.834 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.43 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.274 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.8 OUTLIER -76.6 -18.99 58.32 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.314 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.6 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 68.3 m -72.76 -43.35 62.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 110.408 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' B' ' 52' ' ' ILE . 85.4 mmm -66.65 -46.37 75.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.598 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 23.7 m -62.64 -37.75 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.654 0.264 . . . . 0.0 111.096 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 8.2 t -73.98 -41.67 61.6 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 48' ' ' MET . 85.2 mt -61.86 -47.52 92.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.4 pt20 -67.26 -29.42 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.235 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -66.13 -38.85 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.09 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.505 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.41 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.791 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.79 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 110.783 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.13 -6.99 43.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.478 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 24.74 76.62 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.767 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.99 24.96 11.12 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.03 125.06 34.84 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.224 0.535 . . . . 0.0 111.66 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 43.3 m -143.79 155.15 59.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.543 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 17.3 Cg_endo -52.93 -44.19 50.61 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.46 2.773 . . . . 0.0 112.911 -175.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -69.99 -41.06 74.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.6 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.486 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 56.5 mttm -66.21 -35.29 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.178 0.513 . . . . 0.0 110.673 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.14 -32.08 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.33 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -66.78 -42.92 85.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.047 174.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -63.79 -24.69 67.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 69' ' ' LEU . 30.8 mt -94.91 3.76 54.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.216 0.531 . . . . 0.0 110.195 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -94.57 -51.5 4.72 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.95 -34.6 73.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.277 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.411 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -63.58 -48.97 75.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.586 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.517 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -76.62 -35.22 58.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.213 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.632 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 57.8 p -81.0 4.99 17.73 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.421 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 21.7 mmt -106.7 -11.87 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.315 0.578 . . . . 0.0 109.781 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 -44.58 12.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.63 -174.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.632 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -72.75 -32.35 65.59 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.853 -176.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.515 HG21 ' HG2' ' B' ' 41' ' ' MET . 4.0 mt -55.17 -50.31 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.02 57.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.66 70.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.869 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -67.7 -68.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -139.5 114.57 9.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' B' ' 85' ' ' GLU . 0.0 OUTLIER -97.16 -30.14 13.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.513 1.149 . . . . 0.0 109.654 177.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.56 -53.22 4.06 Favored Glycine 0 C--N 1.298 -1.566 0 CA-C-N 113.313 -1.767 . . . . 0.0 112.483 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.27 55.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.171 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 -155.21 7.0 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.086 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 38.9 t -141.29 166.5 24.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.549 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 0.3 OUTLIER -56.38 -49.25 74.99 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.584 0.552 . . . . 0.0 110.141 -177.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 7.1 p -70.92 -45.26 64.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.206 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -56.77 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.3 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 54.9 pttt -69.5 -29.3 66.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.119 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 60.0 m -67.11 -43.8 81.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -67.84 -37.08 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -59.98 -48.5 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.522 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.85 -46.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.63 0.252 . . . . 0.0 110.669 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.33 85.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.577 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.11 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -60.52 -43.26 97.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.237 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -55.06 -51.83 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -54.47 -41.38 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.888 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.08 -27.66 65.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.032 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 46.2 m-85 -73.43 -31.43 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.23 0.538 . . . . 0.0 110.619 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.7 -21.04 45.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.285 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.0 mm-40 -84.01 -25.04 30.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.58 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.0 p -91.52 -66.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.429 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -105.89 -26.59 11.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.664 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 16.33 23.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.485 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.4 p -159.77 152.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.95 128.59 51.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.586 0.231 . . . . 0.0 110.421 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.645 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 0.2 OUTLIER -57.71 -41.67 82.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 103.99 -67.72 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 125.476 1.51 . . . . 0.0 112.913 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.645 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 11.1 Cg_endo -53.8 -31.87 63.78 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.231 1.954 . . . . 0.0 112.72 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.624 ' O ' HG12 ' B' ' 120' ' ' ILE . 49.0 t80 -53.98 -55.39 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.3 -37.24 78.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.219 0.533 . . . . 0.0 110.959 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.32 -28.26 67.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.041 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -89.74 -22.62 22.1 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.045 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.624 HG12 ' O ' ' B' ' 116' ' ' PHE . 46.2 mm -65.95 -37.64 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.68 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 17.6 p -62.22 -33.31 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.132 0.491 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -69.61 -37.54 76.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.61 -49.06 79.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.079 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.76 -38.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.037 0.446 . . . . 0.0 110.966 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 17.0 t -81.81 -11.51 58.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.663 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -98.93 -36.64 9.69 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -66.91 -16.23 64.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.684 0.278 . . . . 0.0 111.691 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.538 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.431 ' HB2' HE21 ' B' ' 129' ' ' GLN . 1.6 mp0 -88.29 -7.58 56.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.075 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.436 ' HA ' ' HG3' ' A' ' 119' ' ' GLU . . . -53.64 -43.99 69.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.345 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.17 -18.16 5.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.916 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -78.77 5.27 11.69 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.777 0.798 . . . . 0.0 111.207 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.614 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.516 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.45 -3.61 11.33 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.72 2.28 . . . . 0.0 112.6 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -127.86 23.0 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' A' ' 12' ' ' ASN . 12.7 t -74.41 -11.57 60.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.419 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' A' ' 11' ' ' THR . 11.0 p30 -151.89 153.12 31.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.74 -30.2 83.48 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.084 2.522 . . . . 0.0 112.726 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.49 -55.52 29.54 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.217 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.48 -28.95 68.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.794 0.33 . . . . 0.0 110.776 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.57 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.48 -30.9 62.02 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.421 ' HA ' HD21 ' A' ' 21' ' ' ASN . 3.9 m-80 -54.41 -46.64 73.21 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.761 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.02 -40.02 75.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.367 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.6 mtt -71.91 -50.28 30.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.639 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.421 HD21 ' HA ' ' A' ' 18' ' ' ASN . 11.8 p30 -69.47 -27.81 65.54 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.775 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 59.3 m -69.49 -25.69 64.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.964 0.411 . . . . 0.0 110.789 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.87 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -33.53 74.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.766 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 18.8 pt20 -68.52 -21.16 64.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -178.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 -28.15 8.0 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.654 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 33' ' ' PHE . 37.4 tp -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.091 0.472 . . . . 0.0 110.303 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 p -68.26 -16.52 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.641 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -103.62 10.89 36.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.4 139.92 25.4 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.916 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.29 -21.78 40.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.138 2.559 . . . . 0.0 112.99 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.88 76.51 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.377 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 27' ' ' LEU . 77.9 m-85 -115.4 169.28 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 111.603 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -119.64 152.33 37.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.775 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.54 66.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -71.37 -48.75 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.04 -18.28 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 0.0 111.118 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 28' ' ' SER . 57.3 mt -69.64 -24.48 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.02 -42.29 84.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.596 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.45 -42.36 92.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.942 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.552 ' HG2' HG21 ' A' ' 80' ' ' ILE . 30.6 mtp -68.58 -41.14 80.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.101 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -29.9 69.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.779 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 16.7 m -61.54 -42.38 98.74 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.863 0.364 . . . . 0.0 110.163 177.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -66.44 -37.72 80.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.304 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.65 75.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.866 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -74.1 -15.63 61.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.436 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 m -79.19 -41.53 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.984 0.421 . . . . 0.0 110.201 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 95.0 mmm -65.87 -44.0 86.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.624 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 33.4 m -66.55 -38.55 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.0 -38.74 82.99 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 121.251 -0.18 . . . . 0.0 110.712 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.648 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.2 t -58.15 -53.73 54.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.05 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.78 -51.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 48.3 mt-30 -61.65 -38.53 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.256 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.4 m -73.31 -32.54 64.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 51' ' ' SER . 75.3 mt -69.26 -34.82 75.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.411 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.56 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.971 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.18 78.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -77.64 -41.84 36.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.61 52.36 0.67 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.24 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -131.25 19.17 4.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.33 0.586 . . . . 0.0 110.049 173.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 162.01 15.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.683 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 31.2 t -170.79 149.95 2.99 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.9 -34.9 78.09 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.269 1.979 . . . . 0.0 111.452 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -75.63 -31.28 59.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.164 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 9.5 tppt? -72.88 -39.97 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.984 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 62' ' ' SER . 69.6 mt -65.95 -29.99 70.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.765 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 52.4 tt0 -58.56 -51.2 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.801 176.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -61.16 -30.51 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.324 0.583 . . . . 0.0 111.068 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 65' ' ' LYS . 3.9 mm? -70.43 -18.22 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.873 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -73.6 -56.3 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.7 mmm -65.66 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.36 71.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.464 ' N ' ' HE2' ' A' ' 48' ' ' MET . 60.3 t80 -79.02 -44.98 21.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.292 0.568 . . . . 0.0 110.265 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.45 -33.87 75.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.963 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -74.96 -44.7 46.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.485 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.5 p -65.29 -33.03 75.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.876 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 29.7 mmt -64.22 -38.72 92.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.78 83.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' OE1' ' HB2' ' B' ' 71' ' ' MET . 44.2 tt0 -57.71 -52.32 65.92 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.659 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.552 HG21 ' HG2' ' A' ' 41' ' ' MET . 9.6 mt -64.64 -42.94 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.63 80.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.602 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.41 70.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.234 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 m -85.0 -50.04 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -92.49 134.96 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.576 0.703 . . . . 0.0 112.18 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.77 149.22 23.35 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.045 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.48 32.24 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.343 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.32 -47.48 0.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.46 159.66 23.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.961 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.4 p -95.87 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.619 0.209 . . . . 0.0 110.573 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.62 -36.73 72.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 p -74.94 -40.55 60.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.106 0.479 . . . . 0.0 110.559 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -63.39 -47.94 79.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.357 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.58 -38.37 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.781 0.324 . . . . 0.0 110.833 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.6 m -65.68 -47.77 74.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.5 t -66.28 -32.73 74.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.594 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -59.86 -48.27 82.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.32 -40.84 83.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.624 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.12 78.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.259 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 t -67.07 -43.1 83.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -67.21 -35.09 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.716 -178.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -66.37 -36.0 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.164 0.507 . . . . 0.0 110.187 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m -68.49 -39.88 81.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.612 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.1 p-10 -75.34 -20.15 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.561 -175.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.49 75.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 39.2 m-85 -65.93 -28.55 69.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 111.291 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.78 -7.06 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.309 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -98.06 -46.39 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -74.1 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.615 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -101.48 -55.0 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.895 0.378 . . . . 0.0 111.103 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.12 6.14 8.46 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.99 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -141.02 147.84 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -104.36 141.87 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 27.1 t-20 -100.68 123.51 44.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.51 -60.61 9.48 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 Cg_endo -49.1 -42.2 39.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.17 1.913 . . . . 0.0 112.631 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 120' ' ' ILE . 40.4 t80 -56.1 -56.25 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.3 . . . . 0.0 110.61 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.18 -42.16 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.8 -37.15 81.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 39.4 mm-40 -62.72 -38.14 89.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -59.85 -40.13 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.975 -177.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.6 p -67.34 -31.9 72.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 110.889 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -71.97 -33.86 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.21 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -48.46 81.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.39 -38.55 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 110.22 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 t -65.69 -47.33 75.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.158 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.401 ' HB2' ' HE3' ' A' ' 126' ' ' MET . 26.3 ptm -69.69 -45.06 69.14 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.12 -23.65 67.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.33 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.98 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.149 0.499 . . . . 0.0 110.843 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.463 HE21 ' HB2' ' A' ' 129' ' ' GLN . 3.1 mt-30 -93.71 -27.68 16.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.764 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.64 3.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.986 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.86 89.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.562 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -79.72 8.37 6.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.945 0.878 . . . . 0.0 110.95 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.477 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.443 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.585 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 16.9 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.443 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 35.8 Cg_endo -67.37 1.92 2.69 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.186 1.924 . . . . 0.0 112.995 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 9.8 p90 -134.77 10.93 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.585 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.8 t -76.72 -24.36 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.188 0.518 . . . . 0.0 110.438 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.414 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -141.8 150.6 57.23 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.57 -31.68 92.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.754 2.303 . . . . 0.0 112.829 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.77 -36.63 93.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.912 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 18' ' ' ASN . 75.1 mt -84.72 -32.01 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.482 -0.422 . . . . 0.0 110.74 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.25 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.328 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -22.74 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.435 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.475 ' HB2' ' HA ' ' B' ' 15' ' ' LEU . 0.5 OUTLIER -63.57 -44.6 93.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.668 177.431 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.22 -38.88 66.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.882 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 16.0 mmt -62.18 -60.0 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.117 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.479 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.4 p30 -68.27 -30.5 69.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.272 -175.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -65.15 -38.0 89.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.02 -49.28 75.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.666 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 80.7 mmm -60.69 -36.71 79.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.392 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 81.1 mt-30 -57.11 -55.2 37.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 0.0 110.417 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.09 91.1 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.388 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.37 -32.26 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.684 0.278 . . . . 0.0 110.831 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -69.72 -6.41 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.646 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -112.66 9.69 19.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.597 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -92.75 144.46 28.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.731 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.55 -15.06 14.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.926 2.418 . . . . 0.0 113.045 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -74.37 -25.24 71.07 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.522 -176.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -122.08 152.77 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 111.164 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 86' ' ' GLY . 17.6 p -102.79 169.8 8.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.513 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.21 96.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.5 t -62.83 -35.18 79.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' B' ' 41' ' ' MET . 25.6 mm-40 -62.2 -52.06 65.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.887 0.375 . . . . 0.0 111.248 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.81 -27.61 69.0 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.1 -25.34 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.897 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.5 -35.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.527 ' HG2' HG21 ' B' ' 80' ' ' ILE . 43.6 mtp -72.99 -37.54 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.642 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.6 p -59.06 -24.54 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m -59.24 -39.94 84.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 48' ' ' MET . 60.8 mt -72.99 -35.59 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 109.873 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.94 89.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 176.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.34 -18.4 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.872 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.448 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 59.4 p -83.31 -34.76 25.64 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.459 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 86.4 mmm -65.4 -43.61 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.112 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 31.7 m -68.49 -38.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.852 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -65.35 -39.32 92.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 23.2 t -60.02 -53.19 60.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.956 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 85.7 mt -55.21 -46.62 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.366 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.11 -40.85 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.001 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -70.21 -32.24 70.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 51' ' ' SER . 78.3 mt -68.71 -37.3 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.12 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -27.6 63.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.465 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 44.2 mt-30 -96.6 -3.27 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.21 14.7 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.616 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.556 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -133.41 20.22 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 0.0 110.387 172.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 149.93 31.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.121 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -171.15 151.72 3.24 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.86 -39.96 76.55 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.613 2.209 . . . . 0.0 111.034 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.4 -48.38 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.161 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -41.46 96.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.888 -176.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -69.72 -36.3 75.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.489 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 63.0 tt0 -65.27 -47.21 77.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.41 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.9 -22.92 65.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.267 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 mt -87.83 -5.71 58.48 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' B' ' 70' ' ' ASN . 1.2 t-20 -76.87 -46.16 25.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.432 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 96.5 mmm -77.87 -34.32 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -26.99 64.51 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.189 0.519 . . . . 0.0 111.132 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.11 -45.15 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.54 . . . . 0.0 110.155 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -64.46 -34.91 79.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.683 -178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.8 p -71.45 -45.56 62.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.423 ' HB2' HD13 ' B' ' 44' ' ' ILE . 12.3 p -67.04 -35.22 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.414 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.5 mmt -64.95 -38.83 92.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 110.467 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.07 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.469 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.596 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 88.8 tt0 -58.12 -52.57 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' B' ' 41' ' ' MET . 8.7 mt -62.49 -39.02 82.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.141 0.496 . . . . 0.0 110.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.55 86.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.299 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.37 67.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.863 0.363 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' B' ' 133' ' ' ASN . 48.0 m -70.09 -64.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.525 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -120.99 -178.73 3.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.212 0.529 . . . . 0.0 111.537 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.429 ' HB3' ' HE2' ' B' ' 93' ' ' LYS . 6.0 pt-20 -158.66 150.12 20.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.102 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.421 ' O ' HG23 ' B' ' 34' ' ' THR . . . -128.36 72.57 0.47 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.644 -174.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.47 -32.2 7.79 Favored Glycine 0 CA--C 1.499 -0.94 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -100.22 156.51 19.55 Favored Glycine 0 N--CA 1.434 -1.448 0 CA-C-N 114.593 -0.804 . . . . 0.0 112.432 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -93.94 -170.25 2.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.3 tp -54.83 -38.59 67.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.604 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -67.14 -46.88 72.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.317 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -67.24 -46.08 74.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.518 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 85' ' ' GLU . 19.2 ptpt -61.82 -41.05 97.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.0 110.598 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 58.4 m -66.33 -44.11 84.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -62.15 -36.06 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.58 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -64.37 -49.7 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' B' ' 101' ' ' MET . 59.2 mt -63.22 -46.8 94.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.25 82.99 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -68.52 -39.83 81.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.98 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.162 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.2 mmt -64.62 -42.99 95.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.104 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 28.9 m -60.46 -34.41 73.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.2 t30 -62.22 -52.84 62.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.543 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -33.99 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.238 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.1 m-85 -67.08 -37.36 83.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.779 0.324 . . . . 0.0 111.29 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.62 -20.64 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.289 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 83.8 mm-40 -81.6 -34.65 30.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.079 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 7.5 p -93.71 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -93.34 -45.13 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.06 0.457 . . . . 0.0 111.381 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.28 4.25 25.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.9 p -142.2 149.22 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.18 133.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -88.84 105.53 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.109 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 55.3 mt-30 -54.79 -50.99 82.83 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 34.5 Cg_endo -64.55 -0.32 2.92 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.075 1.85 . . . . 0.0 113.373 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.489 ' O ' HG12 ' B' ' 120' ' ' ILE . 47.4 t80 -93.14 -52.96 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.2 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.863 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -74.3 -5.73 43.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.194 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.99 -28.8 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 110.423 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.489 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -63.52 -34.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.798 -178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -59.12 -34.99 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.05 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.911 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.75 -49.27 78.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.367 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.36 -35.42 66.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.054 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -77.82 -46.06 22.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.472 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.1 ptm -59.43 -46.64 88.16 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.31 -32.02 73.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.699 0.285 . . . . 0.0 110.85 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -35.51 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.671 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.8 mt-30 -78.13 -30.11 49.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.604 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.59 98.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.099 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.84 18.86 71.74 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.024 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -80.79 11.33 3.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.862 0.839 . . . . 0.0 110.308 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 83' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.927 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.705 176.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 11' ' ' THR . 23.4 p . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.416 0.151 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.0 -23.39 43.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.301 2.001 . . . . 0.0 112.306 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -103.61 18.78 21.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.022 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 8' ' ' THR . 10.6 t -82.69 -14.55 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.989 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -153.21 149.26 21.26 Favored Pre-proline 0 C--O 1.233 0.202 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.19 -36.82 97.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.814 2.342 . . . . 0.0 113.086 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -50.63 63.75 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.978 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -68.21 -35.5 78.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.311 -0.523 . . . . 0.0 110.924 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.01 -34.56 57.46 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.864 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' ASN . 69.3 m-20 -63.85 -27.61 69.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 111.114 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -59.87 -34.28 72.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.694 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mmt -75.35 -45.83 36.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 109.247 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 75.5 m-20 -61.74 -49.27 77.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -32.71 72.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' A' ' 27' ' ' LEU . 79.7 t80 -69.61 -50.02 48.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.648 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -61.22 -36.38 79.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.727 -176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.6 mt-30 -59.85 -46.37 89.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.927 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.26 -32.71 46.98 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD22 ' CE2' ' A' ' 23' ' ' PHE . 38.7 tp -68.33 -31.18 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 110.77 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -72.27 2.07 6.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.193 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -114.85 11.69 16.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.463 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -98.37 141.99 23.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.081 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.94 -27.18 12.43 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.885 2.39 . . . . 0.0 113.159 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.26 -15.45 70.08 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.925 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -116.33 155.48 28.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.215 0.531 . . . . 0.0 111.008 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.8 p -111.84 153.94 25.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.913 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.56 39.07 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.252 0.345 . . . . 0.0 111.742 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 m -60.09 -42.26 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -69.07 -45.5 70.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.67 -40.33 68.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.21 -23.51 61.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.156 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -86.2 -43.51 12.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.2 ptm -73.28 -22.42 60.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.9 -28.99 69.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.514 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -58.3 -41.47 84.5 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' A' ' 80' ' ' ILE . 58.2 mt -75.85 -36.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 0.0 110.192 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -50.54 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.001 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -14.4 60.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.61 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -82.0 -40.41 22.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.74 0.305 . . . . 0.0 110.424 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 83.7 mmm -62.6 -42.35 99.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.45 -38.22 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.41 -35.82 76.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.499 0.19 . . . . 0.0 110.919 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.25 -43.35 98.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 0.0 110.292 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.88 -49.22 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.379 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -56.52 -39.11 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -67.43 -46.76 72.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.84 -33.6 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.8 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.68 89.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.788 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.81 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.84 -10.86 46.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.089 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.34 28.6 65.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.269 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -107.32 13.26 27.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.019 0.438 . . . . 0.0 110.621 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -84.68 116.58 23.28 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 m -110.94 157.37 38.83 Favored Pre-proline 0 C--N 1.317 -0.848 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.469 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.57 -43.75 54.98 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -69.77 -36.94 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.298 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 3.4 tppt? -59.59 -50.3 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.479 0.657 . . . . 0.0 110.299 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.58 -32.43 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.893 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.09 -43.24 87.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.9 93.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.777 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.62 -10.34 59.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -76.25 -51.38 12.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.663 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 26.0 mtp -82.77 -24.18 33.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.991 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.32 73.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 0.0 110.056 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.31 -47.18 77.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.387 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.23 83.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.292 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -73.61 -35.89 65.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 32.3 t -65.3 -39.07 92.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.437 0.637 . . . . 0.0 110.646 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 28.9 mmt -70.37 -27.01 64.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.903 0.382 . . . . 0.0 110.193 177.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.5 65.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 10.4 pt-20 -66.45 -40.16 89.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.252 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 44' ' ' ILE . 19.6 mt -60.66 -44.39 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.266 0.555 . . . . 0.0 110.108 175.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.07 -48.09 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.76 82.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -54.29 -68.28 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.802 0.689 . . . . 0.0 111.961 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.53 161.22 35.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB3' ' HE2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -148.27 159.03 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.373 -178.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.28 -34.77 0.4 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.569 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.53 -6.25 47.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.98 -153.1 6.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.005 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.8 t -126.86 -167.68 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.37 -37.0 71.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.707 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -66.31 -48.67 69.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.3 0.571 . . . . 0.0 110.321 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -44.32 91.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.631 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 85' ' ' GLU . 19.5 ptpt -63.87 -37.76 88.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.5 m -65.46 -49.77 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 m -61.92 -38.08 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.2 m -59.5 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 101' ' ' MET . 58.1 mt -66.29 -44.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.544 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.53 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.522 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -67.7 -35.03 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.742 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.85 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.343 . . . . 0.0 110.707 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 103' ' ' ASN . 26.0 mmt -64.09 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -77.69 20.78 0.32 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.486 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.7 t30 -126.67 -43.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.39 78.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.156 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.557 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 63.9 m-85 -64.4 -32.41 74.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 111.331 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? -78.3 -11.49 59.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.591 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.8 mm-40 -95.16 -34.25 12.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.385 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.06 -68.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.709 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 p -91.37 -43.54 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.057 0.456 . . . . 0.0 110.789 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.78 12.87 13.54 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.421 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -148.73 149.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG1' HD21 ' A' ' 106' ' ' LEU . 2.6 p -126.46 142.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 -176.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.16 121.53 45.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.753 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.557 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -58.8 -53.56 65.17 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.501 -176.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD3' ' HB2' ' A' ' 114' ' ' GLN . 88.4 Cg_exo -45.55 -44.26 17.27 Favored 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.25 1.967 . . . . 0.0 113.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.37 -48.3 81.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.17 -37.71 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -71.58 -12.41 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.465 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.558 ' HA ' HE21 ' A' ' 122' ' ' GLN . 25.0 mm-40 -83.69 -41.75 17.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.25 -33.49 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.362 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.4 p -66.43 -21.57 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.528 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 119' ' ' GLU . 41.1 mt-30 -81.82 -36.83 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.04 -59.28 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.425 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.69 -35.56 60.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.872 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -73.97 -44.91 53.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.401 -176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.8 ptm -70.85 -39.13 73.13 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.27 -21.33 66.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.569 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.673 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.89 -19.48 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.413 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.01 83.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.144 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.69 22.71 75.45 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.51 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -81.71 12.44 3.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.64 0.733 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.045 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.533 175.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.421 ' O ' HG22 ' B' ' 11' ' ' THR . 4.9 p . . . . . 0 C--O 1.225 -0.208 0 N-CA-C 111.361 0.134 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.86 -26.18 44.8 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.475 2.117 . . . . 0.0 112.148 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -93.94 23.23 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.421 HG22 ' O ' ' B' ' 8' ' ' THR . 9.4 t -72.6 -24.73 61.12 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.776 177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.42 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.84 151.79 35.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.94 -36.66 84.41 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.933 2.422 . . . . 0.0 113.186 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.05 -50.45 67.58 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.063 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.29 -32.8 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.513 -0.404 . . . . 0.0 110.72 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -78.34 -31.88 48.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 110.627 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -33.8 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 175.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -55.52 -46.06 77.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.5 mmt -61.4 -50.04 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.576 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -63.15 -28.19 69.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.411 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' B' ' 27' ' ' LEU . 73.2 t80 -75.23 -53.8 8.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.5 mmm -61.2 -39.07 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.56 -33.88 76.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.66 -37.31 23.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.968 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 33' ' ' PHE . 31.3 tp -65.85 -29.29 69.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -67.83 -10.49 53.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.247 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m -104.15 13.5 32.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.57 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.65 138.54 19.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.852 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.54 -18.89 28.92 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.058 2.505 . . . . 0.0 113.43 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.66 -24.17 75.39 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.296 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' B' ' 27' ' ' LEU . 66.5 m-85 -113.44 160.72 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -128.39 172.41 11.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.9 72.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.988 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.6 m -64.04 -39.68 94.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -82.07 -43.79 17.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -30.99 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.932 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.96 -37.69 74.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.645 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -86.86 -38.36 16.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.831 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -77.02 -25.97 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -60.35 -35.89 76.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.023 0.439 . . . . 0.0 110.285 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 4.4 m -58.84 -45.83 89.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.749 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.464 HD12 HD11 ' B' ' 80' ' ' ILE . 66.2 mt -67.12 -37.69 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.62 76.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -7.98 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.421 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.3 m -83.21 -43.27 16.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.439 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 86.0 mmm -60.7 -39.47 88.63 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.96 -37.12 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.65 -31.3 66.69 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.654 0.264 . . . . 0.0 110.932 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -63.89 -44.84 91.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.65 -46.5 96.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.47 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.44 -38.89 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.352 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -66.04 -41.67 90.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.668 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.74 -35.67 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.06 97.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.59 -14.0 61.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.348 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.47 -0.33 26.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.39 28.95 70.51 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.617 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.64 20.68 18.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.252 0.548 . . . . 0.0 110.163 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.7 p -101.09 116.54 33.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.571 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' B' ' 65' ' ' LYS . 14.6 m -116.94 158.9 42.85 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.006 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.2 -44.88 45.23 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -71.75 -35.66 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.101 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' B' ' 62' ' ' SER . 9.3 tppt? -60.36 -48.03 83.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.63 -40.95 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.86 -44.46 86.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.876 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.536 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -69.61 -8.65 49.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.76 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 69' ' ' LEU . 28.0 mt -104.61 -0.96 27.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.922 0.392 . . . . 0.0 110.642 173.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.98 8.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.445 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 12.4 mtp -78.51 -28.63 46.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.215 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.39 -42.23 66.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.193 0.52 . . . . 0.0 110.478 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -69.5 -50.66 43.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.387 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -36.42 72.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.47 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -73.62 -40.12 64.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.552 ' O ' ' HG3' ' B' ' 79' ' ' GLU . 21.5 t -64.5 -36.25 83.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.259 0.552 . . . . 0.0 110.585 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.451 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.6 mmt -70.0 -22.17 63.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.872 0.368 . . . . 0.0 110.409 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.04 -47.39 18.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.768 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.663 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 0.0 OUTLIER -61.96 -46.7 88.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 76' ' ' SER . 22.5 mt -55.05 -45.59 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -48.07 62.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.287 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.04 69.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.512 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -68.05 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -138.93 132.08 29.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 93' ' ' LYS . 1.5 pm0 -89.84 164.47 14.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.66 -35.56 22.07 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.089 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.61 -30.75 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.719 -0.553 . . . . 0.0 111.719 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.83 163.17 54.62 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.519 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -76.91 -175.24 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.0 111.258 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.92 -38.06 84.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.092 0.472 . . . . 0.0 110.122 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.9 m -67.68 -44.2 78.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.272 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -61.77 -47.52 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.496 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' B' ' 85' ' ' GLU . 9.1 ptpp? -62.32 -35.52 79.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 110.825 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -69.69 -48.77 58.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -62.14 -34.34 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -61.13 -48.95 79.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -68.64 -46.32 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.0 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.73 83.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t -65.49 -36.57 84.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.59 67.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.691 0.282 . . . . 0.0 111.075 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.0 mmt -61.77 -37.46 84.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.12 0.486 . . . . 0.0 109.995 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -77.06 16.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.969 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.6 t30 -121.38 -41.95 2.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.27 76.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.176 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 56.6 m-85 -63.99 -36.0 82.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.147 0.498 . . . . 0.0 111.475 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.447 ' N ' HD12 ' B' ' 106' ' ' LEU . 6.3 mp -73.63 -18.79 61.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.717 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.3 mm-40 -85.39 -34.78 21.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 p -86.28 -67.43 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.489 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -88.94 -43.37 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.454 . . . . 0.0 110.596 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.11 -2.39 20.9 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -139.79 149.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 138.26 43.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.035 0.445 . . . . 0.0 111.141 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -91.29 109.62 20.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.124 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.93 -52.77 69.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 85.1 Cg_exo -47.74 -44.9 25.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.182 1.921 . . . . 0.0 112.504 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.562 ' O ' HG12 ' B' ' 120' ' ' ILE . 43.3 t80 -58.3 -53.3 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.87 -39.95 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.295 0.569 . . . . 0.0 110.667 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.94 -14.08 60.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.613 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.493 ' HA ' HE21 ' B' ' 122' ' ' GLN . 48.1 mm-40 -86.18 -33.88 20.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 116' ' ' PHE . 50.1 mm -63.42 -40.88 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 15.5 p -58.96 -37.44 76.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.493 HE21 ' HA ' ' B' ' 119' ' ' GLU . 47.6 mt-30 -70.7 -35.76 72.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.991 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.93 -49.68 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.5 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.29 -35.78 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.037 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -84.26 1.85 42.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.909 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 20.7 ptm -109.63 -42.67 4.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.905 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' B' ' 126' ' ' MET . 28.4 m-85 -65.36 -19.12 65.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 111.117 -177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.91 76.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.5 mp0 -84.47 -19.24 33.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.636 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.37 -56.42 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.301 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.5 20.07 76.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.087 174.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -84.4 21.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.769 0.795 . . . . 0.0 110.835 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.135 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.729 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' THR . 1.3 p . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 15.6 Cg_exo -69.05 -23.77 33.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.281 1.987 . . . . 0.0 112.26 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -103.12 13.35 34.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 8' ' ' THR . 11.0 t -85.88 -3.28 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.628 0.728 . . . . 0.0 109.254 174.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.12 123.65 12.51 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.894 -174.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.97 -41.51 78.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.319 2.013 . . . . 0.0 111.278 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -37.18 94.06 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -78.33 -34.05 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.245 -0.562 . . . . 0.0 110.642 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.27 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.92 -37.84 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.292 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -67.44 -24.31 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -58.06 -46.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.098 0.475 . . . . 0.0 109.938 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.49 -41.74 75.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.317 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -59.7 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.878 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -72.46 -15.57 61.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.496 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 69.9 t80 -82.86 -54.28 5.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.272 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.2 mmm -61.48 -36.25 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -60.25 -28.32 67.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.941 0.4 . . . . 0.0 110.752 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.55 -33.72 5.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.209 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.4 tp -67.97 -34.92 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.759 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 6.8 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 111.321 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -117.85 5.93 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.259 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.8 mmt -92.66 142.27 25.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 -23.72 26.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.854 2.369 . . . . 0.0 112.835 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.23 -8.1 73.84 Favored Glycine 0 C--O 1.238 0.358 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 27' ' ' LEU . 74.5 m-85 -126.76 150.9 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.168 0.509 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -117.07 170.9 8.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.809 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.28 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 0.0 111.038 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -61.55 -41.64 97.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -76.93 -40.74 46.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.979 0.419 . . . . 0.0 110.479 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.16 -34.04 76.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.004 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.01 -41.54 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 5.5 t0 -75.12 -44.76 45.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -175.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ptp -73.32 -26.62 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.684 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -63.07 -31.51 72.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -64.69 -46.44 82.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.132 0.492 . . . . 0.0 109.983 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.533 HD12 HD11 ' A' ' 80' ' ' ILE . 71.8 mt -64.22 -42.3 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.092 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.95 -57.98 5.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.45 -36.61 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.381 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.5 m -64.19 -36.82 85.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.7 mmm -75.05 -41.25 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.4 t -57.21 -52.21 59.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.336 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.97 -28.16 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.35 -43.33 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 70.9 mm-40 -58.33 -43.45 88.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.528 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 m -65.93 -33.2 75.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.1 -37.35 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.54 71.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.07 -32.37 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.283 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -85.68 -26.45 25.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.02 51.91 2.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.709 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 31.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 111.254 175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -84.97 117.5 23.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.388 . . . . 0.0 110.673 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -124.08 152.46 67.04 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.392 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -52.94 -46.89 30.66 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.105 2.536 . . . . 0.0 112.41 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -69.07 -40.8 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.347 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -64.43 -35.39 80.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.216 0.532 . . . . 0.0 110.274 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.19 -39.13 63.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.44 -44.9 89.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.686 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.38 75.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.976 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.9 -34.62 74.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -58.23 -47.44 83.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.879 0.371 . . . . 0.0 110.292 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -42.33 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.832 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -53.27 -45.05 68.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.379 . . . . 0.0 110.781 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 77' ' ' MET . 76.3 t80 -65.88 -50.4 64.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.661 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.51 75.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -71.16 -38.18 72.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.808 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 80' ' ' ILE . 32.3 t -65.64 -41.89 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.21 0.529 . . . . 0.0 110.075 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -61.15 -27.36 68.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.91 0.386 . . . . 0.0 110.395 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -48.21 23.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' H ' ' HG3' ' A' ' 79' ' ' GLU . 1.4 pp20? -69.52 -33.78 73.31 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.533 HD11 HD12 ' A' ' 44' ' ' ILE . 27.3 mt -59.52 -42.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 173.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.57 -48.42 19.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.909 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.21 73.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.564 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.658 ' HB3' ' OD1' ' A' ' 133' ' ' ASN . 42.0 m -78.6 -61.29 2.06 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -122.55 132.38 54.28 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.29 174.53 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.7 -65.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.102 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.13 3.1 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.46 117.67 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 p -66.1 164.15 16.07 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.526 0.33 . . . . 0.0 111.622 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 3.2 tm? -53.23 -51.77 61.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.392 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -63.15 -41.18 99.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.7 m -63.02 -50.75 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.2 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -173.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 m -67.47 -45.16 76.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.13 0.49 . . . . 0.0 110.109 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -65.67 -34.65 78.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.154 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -59.29 -47.16 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.08 -50.93 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.0 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.483 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 t -66.29 -35.21 79.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.9 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.31 -32.18 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.288 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 mmt -60.33 -51.85 67.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.104 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 p -62.51 -30.83 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.767 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.2 t30 -64.0 -45.12 90.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.73 75.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.789 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.615 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 61.3 m-85 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.997 0.427 . . . . 0.0 111.247 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.23 -24.09 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.4 mm-40 -84.47 -24.89 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -94.25 -77.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.878 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.9 t -88.14 -35.67 17.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.191 -177.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.09 19.34 12.85 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.378 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.615 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.2 p -148.27 147.81 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.28 124.62 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.64 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 116' ' ' PHE . 62.0 t30 -75.73 98.85 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 52.8 tt0 -58.94 -52.92 71.38 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.764 -170.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 14.7 Cg_endo -57.28 -26.55 70.83 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.108 1.872 . . . . 0.0 112.516 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.465 ' O ' HG12 ' A' ' 120' ' ' ILE . 66.0 t80 -66.27 -49.19 67.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.383 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.55 -33.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.207 0.527 . . . . 0.0 110.304 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.669 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -85.03 -35.08 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.797 0.332 . . . . 0.0 110.361 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.0 mm -61.37 -38.21 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.7 p -64.28 -37.74 88.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.34 -34.99 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.99 -49.43 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.5 t -65.69 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.21 0.528 . . . . 0.0 110.275 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.3 t -76.45 -16.99 59.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.862 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -96.86 -43.53 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.231 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -65.93 -16.93 64.31 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.608 0.242 . . . . 0.0 111.329 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.19 77.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.233 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.85 -16.84 43.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.729 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -69.61 0.35 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 53.52 53.07 37.43 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 116.013 -0.54 . . . . 0.0 113.198 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 21.42 1.42 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.877 0.846 . . . . 0.0 110.719 -175.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.658 ' OD1' ' HB3' ' A' ' 83' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.66 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' LEU . 27.4 Cg_exo -63.59 -8.32 14.9 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.706 2.271 . . . . 0.0 112.463 176.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -125.24 24.44 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.372 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.482 HG23 HD22 ' B' ' 12' ' ' ASN . 7.6 t -62.64 -24.57 67.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.482 HD22 HG23 ' B' ' 11' ' ' THR . 48.1 m-80 -132.88 153.93 81.21 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.32 -28.22 33.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.97 2.446 . . . . 0.0 112.895 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.52 47.87 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.7 mm? -76.06 -34.13 59.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.176 0.512 . . . . 0.0 109.745 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.82 85.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.842 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.05 -33.68 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.59 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -62.3 -35.94 80.58 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.838 0.351 . . . . 0.0 110.644 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.71 -43.06 98.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.331 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.0 mtt -71.68 -44.19 64.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.492 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -57.53 -50.43 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.862 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -64.57 -20.74 66.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.17 -52.5 6.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.014 0.435 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mmm -67.46 -28.87 68.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -71.99 -20.6 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 0.0 111.096 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.58 -28.66 6.23 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 33' ' ' PHE . 35.7 tp -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 110.759 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.0 p -61.11 -20.59 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 66.2 m -114.4 16.7 17.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.822 0.344 . . . . 0.0 111.536 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.1 mmt -81.39 138.77 48.13 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.535 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.04 -17.46 40.82 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 122.953 2.436 . . . . 0.0 113.323 -174.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -13.44 75.92 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.455 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' B' ' 27' ' ' LEU . 31.8 m-85 -118.02 163.88 15.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.598 -176.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 64.0 p -122.97 151.05 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.572 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.65 -36.4 71.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.646 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -66.12 -26.34 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.658 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.452 ' NE2' ' HG3' ' B' ' 84' ' ' GLU . 94.7 mt-30 -88.23 -30.57 19.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.638 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.84 -18.31 64.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.823 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -29.53 67.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.929 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -86.04 -38.8 17.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.7 ptm -84.41 -26.43 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.548 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -65.02 -31.88 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 110.527 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -60.68 -41.01 94.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.007 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.561 HD12 HD11 ' B' ' 80' ' ' ILE . 55.7 mt -68.92 -39.09 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.008 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -51.79 -56.78 11.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.094 0.473 . . . . 0.0 110.171 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.47 -40.14 90.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.641 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -63.31 -37.96 89.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.009 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 71.0 mmm -72.33 -40.96 67.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.614 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.2 t -55.32 -55.08 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.948 175.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -66.69 -33.05 74.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -61.15 -45.9 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 0.0 109.924 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.72 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.976 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 77.3 mm-40 -58.08 -38.8 77.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.137 0.494 . . . . 0.0 110.163 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -66.44 -37.52 85.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.9 -33.55 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.63 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' OG1' ' B' ' 61' ' ' THR . . . -69.5 -43.86 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.58 76.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.267 0.556 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.69 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.817 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.93 51.17 1.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.954 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 60' ' ' ARG . 0.0 OUTLIER -133.09 25.05 4.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.091 0.472 . . . . 0.0 110.373 174.692 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -92.04 123.06 35.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.218 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.9 m -140.7 154.93 69.49 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.181 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.78 -33.59 71.32 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 112.708 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.81 -53.75 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.529 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.422 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 21.2 mtpp -66.69 -31.22 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.049 -178.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.83 -29.64 64.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.301 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.409 HE22 ' HA ' ' A' ' 133' ' ' ASN . 8.4 tt0 -67.15 -42.83 83.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.102 175.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.71 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.63 -20.27 54.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.283 0.563 . . . . 0.0 109.739 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.29 -50.56 59.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.0 mmm -68.0 -37.12 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.883 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.74 -45.81 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.809 0.338 . . . . 0.0 110.495 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.72 -50.73 61.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.23 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.407 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -75.07 -36.87 61.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 19.2 t -63.27 -44.97 93.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.105 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mmt -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.363 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.07 -52.03 10.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.013 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 79' ' ' GLU . 1.8 pp20? -64.73 -38.87 92.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.561 HD11 HD12 ' B' ' 44' ' ' ILE . 19.8 mt -59.35 -45.92 92.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.459 0.647 . . . . 0.0 109.941 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.82 78.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.533 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.74 74.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.403 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -73.23 -66.2 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.086 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' NE2' ' B' ' 37' ' ' GLN . 8.2 tp10 -91.49 124.21 35.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.993 0.425 . . . . 0.0 111.401 -172.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -83.69 151.48 25.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.43 -135.67 5.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.579 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.47 12.1 59.82 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.394 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.97 19.43 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.696 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' B' ' 92' ' ' THR . 19.0 m -62.96 158.22 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.808 0.337 . . . . 0.0 111.09 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 2.1 tm? -54.88 -51.15 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.007 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.36 -36.33 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' B' ' 89' ' ' SER . 10.1 m -62.73 -48.65 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.298 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 90' ' ' LEU . 2.0 ptmm? -73.06 -13.57 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.944 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -77.78 -48.73 15.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 109.845 173.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -64.39 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.805 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -55.54 -47.03 76.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.07 -43.74 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.09 75.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.589 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 7.2 t -67.85 -40.18 83.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.427 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -66.52 -37.53 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.158 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.07 -48.45 76.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.455 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.1 m -57.39 -40.24 77.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.917 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 18.6 t30 -56.72 -55.61 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.968 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.93 -38.35 56.1 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.8 m-85 -67.03 -34.22 77.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.091 0.472 . . . . 0.0 111.213 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -74.97 -23.19 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.871 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 76.4 mm-40 -84.38 -28.24 27.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -86.75 -66.25 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 111.645 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.8 t -106.01 -35.99 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.241 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.64 4.33 23.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.223 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.6 p -139.13 150.78 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -107.71 137.3 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.765 0.317 . . . . 0.0 110.743 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -80.69 116.38 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 47.7 tt0 -57.34 -56.84 29.69 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.321 -174.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.56 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 20.5 Cg_endo -60.2 -33.33 94.94 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.81 1.673 . . . . 0.0 112.269 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.596 ' O ' HG12 ' B' ' 120' ' ' ILE . 21.5 t80 -57.66 -55.93 28.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 42.4 mm -60.27 -38.4 77.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.937 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.6 -45.24 87.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 44.1 mm-40 -59.06 -41.56 88.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.526 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 116' ' ' PHE . 38.1 mm -60.89 -46.42 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 67.6 p -63.52 -36.21 83.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.747 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.46 -31.72 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.672 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 119' ' ' GLU . 96.4 mt -61.36 -50.37 73.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 110.384 175.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.37 -35.63 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.284 0.564 . . . . 0.0 110.15 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -76.13 -9.09 58.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.104 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 25.8 ptm -105.77 -45.34 4.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.036 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -63.97 -25.85 68.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.97 77.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.913 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.71 -19.17 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.534 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.79 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.01 25.37 75.45 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.163 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -79.47 10.3 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.724 0.773 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.311 -1.098 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.63 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.581 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.9 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 30.5 Cg_endo -64.93 -7.48 15.28 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.359 2.039 . . . . 0.0 112.685 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 9' ' ' PRO . 13.3 p90 -127.64 16.19 6.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.558 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.581 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 15.0 t -75.06 -16.98 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.456 HD22 HG23 ' A' ' 11' ' ' THR . 12.0 p30 -150.8 150.83 29.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 50.5 Cg_exo -54.0 -37.34 86.17 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.954 2.436 . . . . 0.0 112.483 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.92 47.28 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.809 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.083 0.441 . . . . 0.0 110.728 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.31 98.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.212 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 12.3 pt-20 -79.48 -37.31 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.005 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -66.33 -29.7 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.35 -0.219 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -54.1 -44.49 71.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.191 0.52 . . . . 0.0 110.281 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.7 mtt -70.11 -43.34 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.591 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.617 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 39.3 m-80 -61.25 -52.37 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.919 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -65.92 -24.96 66.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.352 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.6 t80 -63.37 -51.37 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.487 176.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.5 mmm -66.25 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.104 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 24.8 mt-30 -62.47 -29.3 70.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.65 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.91 -34.23 6.04 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.478 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD22 ' CE2' ' A' ' 23' ' ' PHE . 39.7 tp -71.96 -27.6 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 111.015 -176.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -63.53 -19.87 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -107.35 18.88 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.9 mmt -103.48 148.01 35.08 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.363 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.13 165.78 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.498 2.132 . . . . 0.0 111.414 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.92 -49.67 1.4 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.9 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.15 130.63 38.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.769 0.318 . . . . 0.0 110.588 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.5 p -91.15 173.45 7.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.296 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.32 67.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 p -93.55 -30.11 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.895 0.855 . . . . 0.0 109.302 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 80' ' ' ILE . 5.5 tp-100 -69.0 -48.87 62.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.258 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.37 -36.78 78.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.145 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -80.19 -42.19 23.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.075 0.464 . . . . 0.0 110.093 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.7 ptm -76.34 -23.36 54.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.784 -176.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -62.02 -24.05 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.637 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' B' ' 65' ' ' LYS . 7.1 m -66.0 -40.86 91.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.132 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' A' ' 47' ' ' SER . 19.9 mt -65.09 -33.19 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -58.47 -41.05 84.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.797 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.579 HE22 HD21 ' B' ' 55' ' ' LEU . 1.1 pp0? -90.04 -12.1 39.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.303 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 24.4 p -89.12 -33.84 16.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.3 mmm -70.79 -37.88 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.577 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' ALA . 26.8 m -66.94 -32.68 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.532 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -68.17 -38.56 82.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.572 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m -58.18 -45.47 87.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.01 0.433 . . . . 0.0 110.105 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.86 -49.15 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.865 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.41 -39.15 86.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.83 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -61.23 -39.32 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.198 0.523 . . . . 0.0 110.201 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 67.5 mt -77.52 -35.16 53.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.064 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.18 95.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 0.0 110.69 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -26.84 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -98.61 4.36 48.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.376 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.95 84.27 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.556 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 18.7 mmm180 -100.02 -4.04 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.049 0.452 . . . . 0.0 110.11 -177.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 144.6 38.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.261 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.9 m -152.96 150.46 24.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.954 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.69 -43.43 51.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.017 2.478 . . . . 0.0 112.681 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -66.04 -48.25 71.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.128 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.41 -39.27 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.616 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.8 tt0 -58.04 -43.36 86.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.645 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.99 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.657 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.3 mt -105.56 -2.83 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.324 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -53.35 8.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.151 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 27.7 mtp -79.67 -24.15 42.0 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.887 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -53.12 -39.41 63.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -77.98 -41.19 36.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.442 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.23 -37.26 84.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 m -78.45 -34.15 47.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.614 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 3.5 p -70.92 -31.4 68.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.727 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 27.7 mmt -64.49 -35.72 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.17 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.26 -37.33 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.312 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 76.6 tt0 -59.61 -33.27 71.27 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.061 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 37' ' ' GLN . 14.2 mt -84.35 -44.34 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.37 90.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.949 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.11 61.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.64 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -81.44 -56.81 3.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 111.275 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -130.22 169.16 15.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.545 0.688 . . . . 0.0 112.363 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 11.0 pt-20 -161.29 -171.18 2.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.593 177.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 -33.68 0.25 Allowed Glycine 0 C--O 1.227 -0.292 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.9 14.42 57.37 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.62 179.09 41.75 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -103.62 -172.6 2.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.228 0.514 . . . . 0.0 110.845 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.44 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 59.2 tp -59.32 -38.84 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.044 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -71.55 -36.14 70.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.137 0.494 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -65.75 -50.81 63.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.153 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 85' ' ' GLU . 18.2 ptpt -61.41 -36.9 81.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -67.04 -42.89 84.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 t -63.01 -38.99 93.4 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.036 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.2 m -64.6 -47.64 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.305 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.44 -45.76 89.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.699 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.98 82.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 t -72.86 -25.05 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.294 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.86 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.501 ' SD ' HG13 ' A' ' 120' ' ' ILE . 39.0 mtt -69.79 -44.18 70.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 p -58.89 -38.44 78.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.438 0.637 . . . . 0.0 110.162 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.1 t30 -62.41 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.036 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.9 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.324 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.587 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 49.0 m-85 -62.69 -38.06 88.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 0.0 110.998 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.74 -24.84 59.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 80.1 mm-40 -76.87 -37.83 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 p -81.75 -78.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.154 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -94.18 -25.36 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.215 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.06 16.43 21.22 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.137 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -154.2 146.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -118.51 137.05 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.032 0.444 . . . . 0.0 111.234 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -88.26 120.45 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.942 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.508 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 35.5 tt0 -64.87 -51.21 58.6 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -174.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.1 Cg_exo -50.07 -41.69 48.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.006 1.804 . . . . 0.0 112.649 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 120' ' ' ILE . 23.6 t80 -53.39 -53.16 55.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.789 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.62 -31.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.871 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -68.41 -47.27 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 0.0 111.362 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.7 mm -60.54 -39.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.554 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.3 p -63.91 -34.37 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.284 0.564 . . . . 0.0 110.477 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -70.94 -38.44 72.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.32 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.24 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.92 -41.77 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.819 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -68.86 -49.91 54.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.132 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -63.88 -40.7 97.15 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -63.41 -35.37 80.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.675 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.19 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.725 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.469 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.6 mt-30 -74.49 -27.42 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.091 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.25 97.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.02 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.13 11.25 70.06 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.142 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -75.98 -3.71 37.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.681 0.753 . . . . 0.0 110.944 -177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.583 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.485 ' O ' HG22 ' B' ' 11' ' ' THR . 1.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.46 -14.18 43.6 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.295 1.997 . . . . 0.0 112.091 176.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 31.9 p90 -120.29 19.02 12.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.485 HG22 ' O ' ' B' ' 8' ' ' THR . 10.3 t -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.698 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' B' ' 11' ' ' THR . 11.1 p30 -149.17 152.75 36.76 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.0 -31.31 92.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.85 2.367 . . . . 0.0 112.75 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -44.86 95.44 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.473 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.52 -33.69 62.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.5 -0.412 . . . . 0.0 110.639 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.91 94.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.29 -32.64 62.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.623 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.59 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -58.04 -44.12 87.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtt -76.19 -43.72 41.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.057 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 32.6 m-80 -63.21 -48.84 76.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.4 m -61.98 -29.58 70.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 111.102 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CE2' HD22 ' B' ' 27' ' ' LEU . 81.5 t80 -64.32 -52.24 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -65.19 -34.8 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.373 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 54.7 mt-30 -61.4 -33.52 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.172 0.51 . . . . 0.0 110.977 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -90.4 -27.26 20.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.401 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' B' ' 23' ' ' PHE . 32.9 tp -75.61 -26.61 57.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.8 p -63.38 -23.29 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.29 0.567 . . . . 0.0 110.655 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -102.69 24.37 10.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.461 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 21.9 mmt -114.26 138.89 23.2 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.803 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.66 133.54 11.63 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.425 2.083 . . . . 0.0 110.487 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . 0.557 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 141.64 -32.99 2.0 Favored Glycine 0 N--CA 1.439 -1.124 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.548 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -107.42 149.3 28.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.939 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.45 ' OG1' ' HB2' ' B' ' 37' ' ' GLN . 81.9 p -87.4 169.66 12.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.271 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -11.05 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.954 0.407 . . . . 0.0 111.197 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -97.45 -37.1 10.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.719 0.771 . . . . 0.0 109.036 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.45 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 0.4 OUTLIER -62.62 -51.64 66.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.571 -179.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -38.24 82.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.01 -44.19 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.192 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.87 -45.93 59.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.52 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 14.1 ptm -68.74 -27.42 65.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -33.94 71.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.566 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.5 m -66.58 -41.44 88.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.592 HD12 HD11 ' B' ' 80' ' ' ILE . 36.9 mt -70.53 -34.59 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.999 0.428 . . . . 0.0 110.434 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.1 91.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -12.25 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 48.2 p -87.21 -34.49 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.345 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.8 mmm -63.43 -43.82 96.36 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.274 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.38 -38.54 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.825 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -70.33 -34.94 73.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.816 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -61.81 -45.58 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.54 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.64 -34.82 76.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -66.92 -45.9 76.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.212 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.579 HD21 HE22 ' A' ' 46' ' ' GLN . 70.6 mt -63.18 -38.79 92.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.1 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.36 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.514 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.81 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.498 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 38.05 56.22 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.195 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -104.23 -7.67 19.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.14 140.5 50.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.221 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 m -153.35 161.08 30.04 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.06 -47.81 22.25 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.749 2.299 . . . . 0.0 112.406 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.188 0.518 . . . . 0.0 110.132 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HD2' ' HB ' ' A' ' 43' ' ' THR . 2.0 tppt? -59.07 -43.96 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.097 -175.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.08 -36.53 66.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.934 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.98 -45.7 80.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 4.33 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.403 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.21 9.47 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -59.06 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.405 176.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.439 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 22.6 mtp -78.2 -19.02 54.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.23 -38.86 69.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.19 0.519 . . . . 0.0 109.949 170.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' B' ' 77' ' ' MET . 84.0 t80 -76.85 -42.67 39.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.251 176.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' B' ' 71' ' ' MET . . . -60.65 -38.92 86.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.751 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.4 m -77.64 -38.39 48.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.529 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.9 p -66.47 -33.55 75.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.2 0.524 . . . . 0.0 110.905 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.505 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 28.9 mmt -71.24 -25.5 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.83 -43.93 34.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -65.89 -28.06 68.67 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.992 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.592 HD11 HD12 ' B' ' 44' ' ' ILE . 18.1 mt -73.82 -47.78 42.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 121.166 0.508 . . . . 0.0 110.251 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.04 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.034 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.14 -14.62 62.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.022 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t -72.59 -62.72 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.581 0.229 . . . . 0.0 111.252 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -120.23 153.35 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.348 0.594 . . . . 0.0 111.764 -175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.08 -165.29 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.09 -58.37 0.56 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.763 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.1 26.52 15.04 Favored Glycine 0 CA--C 1.503 -0.661 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.557 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.72 135.23 2.78 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.083 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 t -83.11 169.47 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.74 -42.93 94.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.895 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.6 t -69.12 -37.7 78.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.878 0.371 . . . . 0.0 110.16 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -54.96 39.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.965 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.489 ' O ' HG13 ' B' ' 97' ' ' ILE . 18.1 ptpt -63.22 -36.69 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.163 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 82.7 m -64.59 -45.82 85.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.993 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -62.99 -40.14 96.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.017 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 68.0 m -63.89 -45.59 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.485 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 93' ' ' LYS . 39.1 mt -57.36 -49.89 78.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.608 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.22 77.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.65 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -60.48 -45.4 93.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.59 84.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.958 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 45.6 mtt -66.4 -45.49 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.349 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.1 p -61.21 -29.56 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.256 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -70.66 -41.99 71.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.35 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.868 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 38.7 m-85 -63.09 -38.74 92.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.189 0.518 . . . . 0.0 111.208 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.73 -24.03 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.768 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.8 mm-40 -79.72 -34.57 39.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.4 p -83.0 -71.47 0.49 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.366 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.2 t -101.38 -21.03 14.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.408 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.98 5.99 49.54 Favored Glycine 0 CA--C 1.506 -0.477 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.72 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 14.5 p -141.71 150.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 3.3 p -119.85 128.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 0.0 111.368 -175.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -73.8 101.53 3.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.969 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.474 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.9 tt0 -56.94 -47.01 99.8 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.271 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 57.7 Cg_exo -54.46 -43.55 57.8 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.862 1.708 . . . . 0.0 112.114 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.467 ' O ' HG12 ' B' ' 120' ' ' ILE . 25.1 t80 -55.11 -53.39 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.627 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.92 -36.96 76.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.115 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -67.44 -38.14 84.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 40.2 mm-40 -64.21 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 110.96 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 116' ' ' PHE . 41.7 mm -62.07 -35.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 72.4 p -63.27 -26.21 68.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.041 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.16 -37.72 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.553 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 126' ' ' MET . 97.1 mt -57.64 -50.05 74.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.479 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.64 -31.97 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -83.17 -37.13 24.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.929 -176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.617 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 27.5 ptm -66.33 -46.61 76.26 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.337 -0.227 . . . . 0.0 111.266 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -62.44 -26.14 68.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.28 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.812 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.617 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.9 mt-30 -83.58 -27.66 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.77 -44.84 88.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.73 72.9 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.122 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -76.76 1.91 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.274 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.616 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.29 -15.72 50.03 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.237 1.958 . . . . 0.0 112.217 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -122.0 21.53 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.078 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 HD22 ' A' ' 12' ' ' ASN . 9.2 t -67.9 -20.65 65.12 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.459 HD22 HG23 ' A' ' 11' ' ' THR . 11.8 p30 -157.75 157.15 29.54 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.6 Cg_exo -53.73 -32.16 64.42 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.132 2.555 . . . . 0.0 113.199 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.73 -0.89 35.2 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 113.411 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.03 -33.5 3.93 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.626 -0.337 . . . . 0.0 110.299 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.4 91.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.301 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -75.69 -36.66 59.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.858 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.34 -35.92 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.57 -57.66 10.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.022 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 21.1 ptp -73.1 -28.22 62.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.512 -173.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 21.0 m-80 -67.53 -43.61 80.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.771 0.32 . . . . 0.0 110.466 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -72.49 -23.77 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.38 -50.43 71.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.219 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.4 mmm -64.69 -30.08 71.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.176 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 84.6 mm-40 -59.97 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -22.86 52.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.499 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 33' ' ' PHE . 48.6 tp -77.47 -25.74 50.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.965 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.3 p -73.48 -1.89 20.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -120.82 15.54 11.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 mmt -90.6 129.96 42.96 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.87 -26.64 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.192 2.595 . . . . 0.0 113.454 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.33 -7.75 85.16 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.768 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 27' ' ' LEU . 14.2 m-85 -106.49 170.46 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.542 0.687 . . . . 0.0 112.488 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.3 p -116.79 154.4 30.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.919 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.18 66.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.349 . . . . 0.0 111.44 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -74.76 -50.35 17.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -66.27 -32.07 73.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.354 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.7 mt -61.77 -30.97 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.26 -47.26 71.23 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.261 0.553 . . . . 0.0 110.239 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.43 -50.75 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.254 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.53 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 11.3 ptm -71.37 -26.52 62.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.595 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -64.54 -32.18 73.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.283 0.563 . . . . 0.0 109.731 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.8 m -67.89 -39.32 83.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.486 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.95 -38.71 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.41 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.2 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.369 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.531 HE22 HD21 ' B' ' 55' ' ' LEU . 0.8 OUTLIER -80.74 -5.2 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 0.0 111.659 -178.245 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' B' ' 51' ' ' SER . 56.3 m -86.6 -38.42 17.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 86.4 mmm -67.08 -40.26 86.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.0 -32.12 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.71 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.37 -37.8 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 47' ' ' SER . 15.2 m -67.85 -41.6 82.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.489 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.37 -48.35 88.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -60.07 -43.22 95.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.44 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 m -63.1 -44.97 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.835 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.94 -34.03 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.893 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.83 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.66 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.186 0.517 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 25.2 mt-30 -83.44 -14.48 52.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.115 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.64 30.18 60.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.313 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 56.2 mtp180 -107.22 10.39 29.94 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.026 0.441 . . . . 0.0 110.587 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -80.31 135.07 36.14 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.527 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -132.47 156.02 80.58 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.89 -27.28 52.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.748 2.299 . . . . 0.0 111.69 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.62 -60.9 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.432 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.86 -30.31 66.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.631 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.31 -34.23 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 110.004 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.562 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.6 tt0 -80.37 -42.41 22.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.47 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -58.18 -38.09 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.227 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.97 -0.91 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.96 -44.82 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 170.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.7 mmm -73.27 -40.11 64.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -55.27 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.715 175.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.6 t80 -78.64 -48.08 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.405 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.48 -33.43 69.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.976 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 123' ' ' LEU . 5.2 p -78.05 -39.01 43.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.748 -175.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 6.3 p -70.44 -29.26 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -69.06 -37.71 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.7 98.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.164 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 76' ' ' SER . 20.6 tt0 -54.29 -62.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.724 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.13 -36.16 55.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.571 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.85 20.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.62 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.54 63.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.353 -175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -63.84 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.66 132.16 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 111.72 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.65 -22.64 12.43 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.332 -171.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.85 46.85 0.22 Allowed Glycine 0 C--N 1.298 -1.556 0 CA-C-N 113.348 -1.751 . . . . 0.0 115.289 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.99 -53.0 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.91 -170.66 22.14 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 43.2 t -65.26 160.74 20.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.09 -36.72 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.686 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.0 m -64.41 -53.5 47.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.94 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 89' ' ' SER . 14.8 ptmt -61.78 -37.4 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -68.33 -45.62 72.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.075 0.464 . . . . 0.0 110.917 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -70.14 -23.43 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.7 m -61.08 -43.92 98.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.9 mt -67.35 -45.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.177 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.97 -44.27 82.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.515 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.11 77.31 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.354 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 mmt -65.4 -44.83 86.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -59.44 -38.95 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.031 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.82 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.552 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.624 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 47.1 m-85 -66.4 -31.73 72.67 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.085 0.469 . . . . 0.0 111.128 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.58 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.4 mm-40 -94.03 -14.64 25.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.947 0.403 . . . . 0.0 110.857 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 p -107.81 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.889 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -95.94 -31.97 12.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.387 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.16 15.73 22.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.7 p -150.85 148.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.9 t -97.0 132.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.156 -175.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -83.83 100.97 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 47.4 tt0 -61.69 -47.22 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 81.9 Cg_exo -48.3 -47.33 20.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.012 1.808 . . . . 0.0 112.398 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.2 t80 -51.87 -48.6 63.98 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.322 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.03 -30.18 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -82.1 -14.11 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.476 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.53 -34.96 19.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.894 0.378 . . . . 0.0 110.663 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.502 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.1 mm -62.93 -36.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.117 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 p -62.11 -35.31 78.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.011 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -70.08 -37.65 75.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 75' ' ' SER . 97.3 mt -61.6 -50.72 71.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.001 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -70.68 -25.21 62.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.738 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.1 ptm -90.34 -40.76 11.91 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.602 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.95 -17.87 64.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 111.551 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.07 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.679 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -78.16 -26.01 47.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.388 . . . . 0.0 110.868 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.883 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 60.72 47.21 92.35 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.3 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -78.0 8.75 4.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.59 0.71 . . . . 0.0 111.216 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.591 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.428 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.89 -9.21 18.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.379 2.053 . . . . 0.0 112.453 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -129.45 22.51 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -70.06 -17.3 63.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.075 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -148.34 155.82 42.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.999 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 54.1 Cg_exo -55.43 -35.86 92.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.11 -52.85 44.19 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.341 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.41 -33.55 65.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.961 0.381 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.82 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 10.9 pt-20 -75.24 -38.85 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.298 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -56.39 -35.65 67.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.457 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -55.51 -56.84 15.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.01 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 19.8 ptp -73.3 -27.44 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 19.0 m-80 -65.83 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.517 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 m -72.24 -30.6 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.426 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 65.9 t80 -58.98 -49.73 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . 0.454 ' HE1' ' HG3' ' B' ' 41' ' ' MET . 78.3 mmm -61.5 -32.42 72.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.348 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 72.5 mm-40 -62.64 -43.61 98.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.19 -31.86 41.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.77 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' B' ' 33' ' ' PHE . 48.0 tp -76.19 -19.66 58.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.702 -0.293 . . . . 0.0 111.377 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -61.28 -13.22 17.24 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -138.78 37.11 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 111.364 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.14 138.62 27.3 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.497 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.91 -25.69 67.12 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.4 2.734 . . . . 0.0 113.447 -173.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.46 2.2 88.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' B' ' 27' ' ' LEU . 28.2 m-85 -122.5 169.66 10.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -131.44 161.45 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.303 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -36.41 75.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.5 t -58.51 -42.82 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.27 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -74.18 -46.71 40.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.478 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' B' ' 33' ' ' PHE . 4.4 mm? -58.91 -40.32 84.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.588 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.56 -37.34 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.751 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -92.76 -37.74 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.203 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' B' ' 24' ' ' MET . 18.8 ptm -70.29 -22.98 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.2 t -64.32 -27.32 68.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.052 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 30.4 m -72.61 -32.05 65.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.846 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mt -66.8 -38.9 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.29 -57.43 6.83 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.277 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -74.29 -5.82 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 -176.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.444 ' HA ' HE21 ' B' ' 50' ' ' GLN . 71.1 m -87.26 -35.93 18.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.56 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.464 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 83.5 mmm -69.07 -35.75 76.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -64.94 -29.71 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.476 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' B' ' 47' ' ' SER . 47.1 mt-30 -69.45 -38.36 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.444 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 47' ' ' SER . 4.3 m -59.13 -47.66 84.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.229 0.537 . . . . 0.0 109.955 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.38 -51.9 67.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.31 -38.99 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.1 m -64.6 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.531 HD21 HE22 ' A' ' 46' ' ' GLN . 85.8 mt -69.09 -36.16 77.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.71 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -42.34 82.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.4 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -96.1 -0.52 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.18 39.66 92.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.81 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -117.72 9.98 13.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -85.84 140.24 30.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.307 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 87.4 p -143.57 156.85 59.84 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.12 -30.08 69.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 111.874 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.63 -55.0 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.82 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -75.06 -21.58 58.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.42 -41.26 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.6 tt0 -63.5 -45.28 91.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.762 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.65 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.146 0.498 . . . . 0.0 111.278 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -9.11 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.566 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -77.58 -44.43 28.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.0 -38.7 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.358 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.71 -32.77 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.112 0.482 . . . . 0.0 111.256 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.408 ' N ' ' HE2' ' B' ' 48' ' ' MET . 72.6 t80 -76.42 -44.63 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.073 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.457 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.32 -36.37 77.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -75.13 -37.64 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.186 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 3.8 t -69.5 -31.01 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.464 0.649 . . . . 0.0 110.445 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.478 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.5 mmt -76.01 -17.84 59.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.167 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.32 -38.02 31.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.95 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.7 pt-20 -67.53 -44.68 77.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.53 -38.06 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.306 0.574 . . . . 0.0 110.282 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.41 -53.32 19.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.971 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.08 -37.67 61.87 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -62.76 -73.71 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.573 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.67 131.51 35.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.1 -31.39 27.3 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.086 0.946 . . . . 0.0 110.781 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.08 -119.35 15.65 Favored Glycine 0 C--N 1.296 -1.684 0 CA-C-N 113.459 -1.7 . . . . 0.0 112.479 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.02 18.22 19.13 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.491 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.37 163.85 21.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.574 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 17.1 t -81.35 172.66 13.31 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.47 -39.89 89.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -69.78 -35.25 74.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.102 0.477 . . . . 0.0 110.55 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -64.75 -53.14 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.098 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 89' ' ' SER . 19.4 ptmt -63.96 -41.4 97.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.44 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 62.8 m -62.18 -45.51 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.611 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -70.15 -25.1 63.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.2 m -62.63 -44.03 97.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.612 0.244 . . . . 0.0 111.204 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.08 -46.18 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.2 71.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.116 0.484 . . . . 0.0 110.774 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 73.4 m -60.0 -55.14 37.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.291 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.751 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.11 -44.48 92.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 25.3 m -58.39 -39.58 80.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.941 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.4 t30 -65.86 -43.57 88.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.132 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.39 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.696 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.561 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.9 m-85 -68.41 -35.32 77.48 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.276 0.56 . . . . 0.0 110.949 177.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 102' ' ' SER . 96.5 mt -71.46 -24.93 62.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.721 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 72.4 mm-40 -83.62 -31.25 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.931 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.89 -71.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.677 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.434 HG23 ' H ' ' B' ' 111' ' ' VAL . 6.6 t -98.42 -30.93 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.304 -176.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.63 8.41 24.64 Favored Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.3 -0.953 . . . . 0.0 111.62 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.1 p -147.59 149.31 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.0 p -108.24 129.76 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.415 0.626 . . . . 0.0 111.918 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.475 ' O ' HG12 ' B' ' 117' ' ' ILE . 26.3 t-20 -79.1 122.15 25.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.222 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 97.9 mt-30 -70.39 -53.48 10.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -173.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 3.0 Cg_endo -45.32 -50.74 8.71 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.256 1.971 . . . . 0.0 112.707 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 120' ' ' ILE . 38.0 t80 -50.13 -51.77 40.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.655 0.597 . . . . 0.0 111.159 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 113' ' ' ASN . 33.2 mm -63.34 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.15 -4.57 53.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.463 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -93.8 -31.81 14.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 110.62 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' B' ' 116' ' ' PHE . 27.1 mm -64.65 -31.82 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 12.1 p -61.23 -29.06 69.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.328 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.01 -33.73 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.637 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.11 -55.14 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.354 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -30.05 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.0 0.429 . . . . 0.0 111.231 -176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 13.2 t -75.66 -37.45 59.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.48 -37.07 63.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -70.78 -15.79 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.37 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.499 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.82 -29.88 61.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.588 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.88 -66.83 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.593 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.94 43.06 99.7 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.829 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.87 0.53 10.83 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.562 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.314 -0.959 0 CA-C-O 121.8 0.81 . . . . 0.0 109.775 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 11' ' ' THR . 21.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.8 0.53 6.28 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.382 2.054 . . . . 0.0 112.694 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -126.75 20.69 7.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.717 0.294 . . . . 0.0 111.397 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.45 HG23 HD22 ' A' ' 12' ' ' ASN . 7.2 t -70.28 -32.35 70.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.192 0.52 . . . . 0.0 110.671 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.45 HD22 HG23 ' A' ' 11' ' ' THR . 11.9 p30 -143.83 153.61 57.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.642 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 73.6 Cg_exo -52.78 -33.53 60.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.084 2.522 . . . . 0.0 112.773 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -48.25 87.12 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.804 -177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.45 -31.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.664 -0.315 . . . . 0.0 110.556 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -71.29 -36.62 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.706 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.95 -40.74 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -54.13 -45.05 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.718 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.34 -42.52 71.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.529 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -63.29 -41.37 98.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.985 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 43.5 m -75.51 -10.37 59.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.321 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -91.99 -51.54 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.284 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.436 ' HB3' ' HE3' ' A' ' 24' ' ' MET . 86.9 mmm -59.36 -38.67 81.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 8.4 pt20 -60.34 -36.78 78.79 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.38 -42.15 12.29 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.05 -31.82 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.27 . . . . 0.0 111.051 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -72.4 -2.86 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.028 0.442 . . . . 0.0 110.666 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -116.54 12.95 15.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -100.62 155.53 36.25 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.698 -177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.14 161.27 35.59 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.367 2.045 . . . . 0.0 111.409 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.531 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 92.8 -41.84 2.7 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.254 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.509 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 79.1 m-85 -93.33 156.09 17.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -130.46 167.38 18.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.617 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.1 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -69.68 -43.92 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.652 0.263 . . . . 0.0 110.712 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -70.59 -36.9 73.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 111.009 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 3.1 mm? -60.56 -36.97 79.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.58 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.19 -42.12 94.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.56 -37.48 73.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 0.0 110.176 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 ptm -83.93 -28.27 27.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.358 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -67.1 -29.08 68.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -39.66 90.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' ILE . 59.2 mt -72.11 -39.56 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.146 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.76 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -15.72 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.419 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -78.81 -39.44 35.62 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.441 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.8 mmm -60.99 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.642 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 m -61.83 -36.94 76.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.069 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.8 -29.33 55.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.871 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -66.5 -46.85 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.853 0.358 . . . . 0.0 110.109 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 48' ' ' MET . 66.3 mt -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -32.18 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.457 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -70.27 -33.46 71.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.586 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' HG3' ' A' ' 60' ' ' ARG . 95.7 mt -68.37 -34.45 76.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 109.98 175.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.72 76.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.804 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.24 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.617 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.54 -38.84 74.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.921 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.21 5.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HG3' HD22 ' A' ' 55' ' ' LEU . 2.6 ptm180 -119.08 21.03 12.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.202 0.525 . . . . 0.0 110.626 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.0 128.47 33.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.933 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 m -130.08 149.42 73.17 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.84 -28.76 59.78 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.617 2.211 . . . . 0.0 111.318 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.48 -58.98 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.887 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 30.3 mtmm -71.22 -27.51 63.53 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.619 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.8 -31.7 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.281 0.563 . . . . 0.0 109.78 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.85 -39.71 21.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.065 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . . . -73.15 -3.68 28.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.027 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -115.11 13.14 16.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.494 0.664 . . . . 0.0 109.545 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -101.11 -48.91 4.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.942 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.592 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 93.6 mmm -74.37 -33.3 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.457 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.95 63.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.364 0.602 . . . . 0.0 110.994 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -68.71 -48.35 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.47 86.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.719 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 p -71.81 -45.23 62.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.957 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -59.38 -43.03 92.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 28.9 mmt -70.76 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.61 -46.08 23.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.638 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -70.96 -34.67 71.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.42 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -59.1 -44.59 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.245 0.545 . . . . 0.0 109.95 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.14 79.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.997 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.45 71.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.764 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.3 m -81.42 -57.79 3.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.846 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -120.04 161.41 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.425 0.631 . . . . 0.0 111.684 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -140.69 156.97 46.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.46 -13.31 38.79 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.433 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.28 -39.84 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.472 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.531 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -78.01 151.25 36.83 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.196 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -71.39 171.25 11.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 50.0 tp -58.95 -42.41 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.228 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -57.37 -41.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.185 0.516 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -64.24 -48.36 76.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.547 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' NZ ' ' HA ' ' A' ' 90' ' ' LEU . 36.0 mtmm -60.51 -47.95 83.92 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.006 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.3 m -55.04 -47.12 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.072 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 m -67.44 -38.63 84.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -57.51 -45.33 85.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.049 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 101' ' ' MET . 66.3 mt -65.44 -50.28 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.28 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.266 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -61.11 -45.54 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.547 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.23 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.018 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.9 mmt -61.94 -45.9 91.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.216 0.532 . . . . 0.0 110.049 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 p -73.11 -1.66 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.578 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.7 OUTLIER -115.16 -25.29 8.14 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.508 174.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.29 81.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.548 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 32.4 m-85 -61.1 -34.2 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.483 0.659 . . . . 0.0 110.54 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 106' ' ' LEU . 5.9 mp -78.06 -19.28 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.319 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 27.5 mm-40 -78.84 -30.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -94.88 -77.52 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.007 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 2.2 t -86.24 -28.05 24.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -176.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.56 9.0 51.43 Favored Glycine 0 CA--C 1.506 -0.529 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.321 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.1 p -146.6 148.08 17.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.198 -0.501 . . . . 0.0 109.685 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -124.15 140.25 48.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.79 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 14.8 t-20 -97.52 118.15 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.525 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 34.2 tt0 -61.04 -51.27 80.25 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -171.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.613 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 70.4 Cg_exo -52.27 -37.6 70.98 Favored 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.119 1.879 . . . . 0.0 112.658 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 17.6 t80 -55.61 -49.81 71.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.14 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.24 -31.94 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.671 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.74 -49.57 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.217 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' B' ' 130' ' ' ALA . 0.5 OUTLIER -60.9 -32.41 71.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.672 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 44.1 mm -61.74 -43.11 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.528 0.204 . . . . 0.0 111.242 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -62.94 -31.01 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.32 0.581 . . . . 0.0 110.782 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.74 -34.29 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 126' ' ' MET . 95.6 mt -60.71 -50.31 73.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 t -59.29 -38.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.7 t -73.38 -47.15 44.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 28.3 ptm -59.74 -40.88 89.59 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -173.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.54 -27.28 66.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.629 0.252 . . . . 0.0 111.243 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.0 66.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.412 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.37 -23.87 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.754 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.91 -49.58 8.37 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.363 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.11 88.41 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.246 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -82.46 9.77 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.855 0.836 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.96 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.749 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 40.1 p . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.409 0.147 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 8' ' ' THR . 27.8 Cg_exo -63.23 -21.7 72.25 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.531 2.154 . . . . 0.0 112.588 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -105.31 18.6 22.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.411 HG23 HD22 ' B' ' 12' ' ' ASN . 13.0 t -69.58 -23.38 63.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.109 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.411 HD22 HG23 ' B' ' 11' ' ' THR . 11.3 p30 -139.99 148.48 55.09 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.83 -35.02 87.4 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.349 2.699 . . . . 0.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.2 20.95 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.542 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.51 -32.79 74.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.589 0.233 . . . . 0.0 110.683 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.39 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.564 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.7 -31.7 52.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.334 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.88 -38.05 84.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.5 -45.15 77.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.28 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mtt -67.74 -36.01 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.069 0.461 . . . . 0.0 110.352 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -61.49 -51.11 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.738 177.511 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.9 m -63.28 -38.58 91.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.31 -51.16 70.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.356 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -62.03 -36.65 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.377 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 51.9 mt-30 -62.99 -43.32 99.11 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.178 0.513 . . . . 0.0 110.203 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -69.47 -43.62 68.41 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.217 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 t -73.66 7.72 2.29 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.086 0.469 . . . . 0.0 110.565 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -127.55 20.25 6.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.911 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 25.0 mmt -107.79 151.82 41.31 Favored Pre-proline 0 N--CA 1.456 -0.16 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.62 -177.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.82 167.22 22.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 111.796 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.68 -42.6 3.17 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.684 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -81.84 142.63 32.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.072 0.463 . . . . 0.0 111.225 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -99.17 151.47 20.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.24 70.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.832 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.48 -40.61 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.7 -36.15 71.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.3 -28.72 67.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.304 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.26 -43.61 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.496 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -72.11 -21.65 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.929 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -60.98 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.521 ' HB ' ' HD3' ' A' ' 65' ' ' LYS . 5.7 m -66.92 -38.84 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.679 0.276 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' B' ' 80' ' ' ILE . 33.8 mt -68.46 -31.96 53.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.203 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.22 97.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.935 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 -12.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.1 p -89.41 -33.11 16.96 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.537 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.511 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 74.5 mmm -66.7 -43.38 84.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.645 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.86 -40.97 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -64.26 -38.46 91.13 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.972 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 50.5 m -60.24 -49.61 76.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.53 -52.4 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.466 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.9 -34.7 77.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.58 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.5 m -72.74 -37.26 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 110.532 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 51' ' ' SER . 88.9 mt -65.01 -34.17 77.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.67 64.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.0 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.14 92.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -24.25 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.249 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 54.12 2.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.412 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 29.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 127.11 33.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.978 0.418 . . . . 0.0 110.936 176.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 m -124.6 155.08 69.9 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.83 -39.25 90.85 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.737 2.291 . . . . 0.0 111.84 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.84 -56.12 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.48 -30.76 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 mt -69.29 -36.01 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 110.347 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -73.84 -42.58 60.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.083 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.638 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -60.5 -41.96 95.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.267 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.02 3.93 21.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.202 0.525 . . . . 0.0 110.346 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.4 -48.43 6.66 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.474 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 87.8 mmm -71.69 -36.09 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.712 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.52 -52.88 43.24 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.139 0.275 . . . . 0.0 111.082 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.511 ' N ' ' HE2' ' B' ' 48' ' ' MET . 75.5 t80 -57.07 -46.14 82.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.994 0.426 . . . . 0.0 110.689 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.558 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -39.43 91.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.205 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -72.76 -38.05 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.522 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.498 ' O ' HG13 ' B' ' 80' ' ' ILE . 18.3 m -62.61 -38.05 88.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.151 0.501 . . . . 0.0 110.802 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.518 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 28.8 mmt -72.78 -24.8 60.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.038 0.447 . . . . 0.0 110.438 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.28 37.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.806 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 9.3 pt-20 -64.55 -37.46 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' B' ' 44' ' ' ILE . 21.8 mt -62.49 -40.39 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.8 57.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.505 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.95 82.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.987 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -71.08 -56.78 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.0 120.13 41.23 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.827 0.822 . . . . 0.0 111.22 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.58 158.28 31.29 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.587 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.71 -40.39 0.5 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.201 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.89 -35.88 0.37 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.102 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.58 151.33 23.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.224 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 m -57.16 150.77 16.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.748 0.274 . . . . 0.0 110.671 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' HZ3' ' B' ' 93' ' ' LYS . 53.7 tp -58.34 -43.61 88.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.457 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m -56.09 -34.65 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -67.97 -50.03 58.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.435 ' HZ3' ' HA ' ' B' ' 90' ' ' LEU . 36.7 mtmm -60.18 -46.86 88.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.148 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -53.93 -42.19 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -70.91 -37.89 72.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.4 m -60.04 -44.14 94.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 101' ' ' MET . 56.2 mt -64.68 -48.19 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.595 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.55 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 18.5 t -60.48 -46.99 88.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.622 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -64.93 -32.52 74.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.36 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.1 mmt -65.56 -49.21 69.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.086 0.47 . . . . 0.0 110.187 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 8.4 p -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -175.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.622 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.2 p-10 -79.77 -24.53 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.365 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.75 73.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.142 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.4 m-85 -63.6 -32.37 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.335 0.588 . . . . 0.0 110.399 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.62 -12.27 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.959 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -92.02 -33.45 14.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.442 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -89.19 -70.31 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.928 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 13.2 p -84.88 -37.8 20.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.055 0.455 . . . . 0.0 111.052 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.62 -0.34 34.45 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.0 p -142.34 149.65 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -106.46 124.39 61.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.337 0.589 . . . . 0.0 111.559 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.549 HD22 ' HB2' ' B' ' 116' ' ' PHE . 10.6 t30 -74.34 101.31 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.045 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 33.0 tt0 -56.81 -49.76 91.98 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -173.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 13.5 Cg_endo -58.34 -7.75 4.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.497 2.131 . . . . 0.0 113.572 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.658 ' O ' HG12 ' B' ' 120' ' ' ILE . 56.7 t80 -84.89 -46.24 11.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.0 mm -66.47 -37.83 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.051 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.32 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.064 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' B' ' 122' ' ' GLN . 0.3 OUTLIER -69.62 -31.13 69.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.488 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.8 mm -62.44 -45.09 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.488 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 41.5 p -60.64 -35.52 76.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 0.0 110.824 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' B' ' 119' ' ' GLU . 14.9 mt-30 -70.07 -41.25 74.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.559 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.9 -56.33 23.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.305 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.37 -34.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 25.1 m -76.5 -56.5 4.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.359 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -56.25 -33.79 65.77 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.83 -20.51 66.27 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.11 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.236 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.88 -24.41 41.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.048 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 119' ' ' GLU . . . -61.31 -51.58 68.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.29 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.86 27.89 73.16 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.962 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -85.26 20.49 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.925 0.869 . . . . 0.0 110.552 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.314 -0.967 0 CA-C-N 113.958 -1.473 . . . . 0.0 109.566 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 11' ' ' THR . 10.4 p . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.66 -12.41 31.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.511 2.141 . . . . 0.0 112.583 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -121.21 17.56 11.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 8' ' ' THR . 14.8 t -85.45 -14.59 45.65 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.58 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -137.15 136.5 20.97 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.229 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 69.7 Cg_exo -52.66 -41.6 67.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.371 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.78 78.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.386 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.69 -39.8 94.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.595 -0.356 . . . . 0.0 110.641 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.04 90.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.245 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.7 pt-20 -74.98 -28.68 60.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.711 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.536 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 60.8 m-20 -69.36 -32.38 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.051 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.74 -33.23 66.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.6 mmt -69.08 -53.44 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 12.1 p30 -73.7 -26.23 60.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -176.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 m -72.08 -19.26 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 110.359 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CE2' HD22 ' A' ' 27' ' ' LEU . 57.7 t80 -84.29 -52.49 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.918 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.7 mmm -60.3 -34.94 74.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.327 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.39 -27.91 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.692 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -35.91 9.94 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 23' ' ' PHE . 23.8 tp -65.91 -32.38 73.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.77 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -66.06 -13.48 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -96.69 1.22 50.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.261 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -97.86 140.14 21.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.143 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.74 -27.5 18.09 Favored 'Trans proline' 0 N--CA 1.471 0.156 0 C-N-CA 122.88 2.387 . . . . 0.0 113.059 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.56 73.03 Favored Glycine 0 CA--C 1.517 0.171 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.21 -172.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -106.97 141.31 38.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.29 0.567 . . . . 0.0 111.801 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.4 p -102.98 173.42 6.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.17 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.51 74.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -60.13 -46.46 89.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.408 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.79 -45.42 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.671 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.03 -39.63 94.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.968 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.6 -46.57 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 109.786 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.404 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 9.5 ptm -78.21 -24.89 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.167 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -64.98 -21.4 66.84 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 m -63.73 -43.69 95.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.0 mt -75.92 -34.06 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.227 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.98 61.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 2.1 pt20 -80.15 -21.79 42.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.074 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.7 t -65.06 -42.78 93.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 52' ' ' ILE . 89.3 mmm -62.8 -47.78 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.723 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.8 m -63.94 -38.21 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.46 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -71.49 -33.84 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -66.91 -42.17 85.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.975 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 48' ' ' MET . 77.0 mt -57.43 -50.08 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.035 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.612 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.14 -36.64 82.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.417 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -66.59 -34.84 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.976 0.417 . . . . 0.0 110.577 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.84 -33.83 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.806 0.336 . . . . 0.0 110.376 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.25 84.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.184 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.12 77.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.252 0.548 . . . . 0.0 110.731 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.53 -17.57 56.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.27 29.61 52.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.248 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 60' ' ' ARG . 7.1 ptm180 -113.06 21.9 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.482 0.658 . . . . 0.0 110.484 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -92.95 118.24 30.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.898 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 m -118.03 162.37 29.87 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.35 -44.51 48.37 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.302 2.001 . . . . 0.0 111.852 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -73.02 -25.78 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.894 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 8.9 tppt? -69.79 -47.73 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 0.0 109.685 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 mt -68.39 -36.78 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.742 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' B' ' 133' ' ' ASN . 34.1 tt0 -54.93 -49.38 71.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.754 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -59.98 -35.84 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.298 0.57 . . . . 0.0 110.689 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.08 -4.92 46.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.448 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -84.87 -47.42 10.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.512 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 92.6 mmm -79.19 -30.15 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -60.01 -34.83 73.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.88 171.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -72.07 -44.36 63.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.936 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -66.32 -51.21 59.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.65 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.6 p -61.4 -39.31 90.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.974 0.416 . . . . 0.0 111.282 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 29.2 mmt -69.34 -30.75 68.85 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.449 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.58 -44.58 50.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.51 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 7.7 pt-20 -67.53 -32.71 73.69 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.379 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 76' ' ' SER . 17.1 mt -67.74 -48.38 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.974 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.01 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.832 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.487 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -75.68 -77.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.231 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 170.4 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 111.87 -173.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.61 -154.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.266 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.0 -26.49 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.76 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.83 -1.04 42.49 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.984 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 180.0 179.13 48.8 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.056 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.6 m -85.57 -175.72 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.577 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 50.9 tp -54.0 -42.54 69.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -70.32 -37.61 74.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.088 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -63.67 -53.53 49.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.324 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.3 pttt -68.41 -31.14 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 m -67.64 -47.53 69.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.638 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 m -65.76 -28.73 69.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -61.99 -43.94 97.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.619 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.98 -42.41 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.99 81.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.729 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -68.12 -42.06 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.648 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.62 -36.39 83.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 mmt -64.77 -35.37 80.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.029 0.442 . . . . 0.0 110.031 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -67.28 -51.85 47.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.835 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.648 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.5 p-10 -66.71 -27.84 67.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.007 -173.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.18 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.483 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.551 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 18.1 m-85 -71.01 -35.16 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 110.85 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 106' ' ' LEU . 6.6 mp -74.35 -16.93 60.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 74.8 mm-40 -89.14 -27.35 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.601 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -96.99 -32.12 12.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.921 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.43 25.97 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.718 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.7 p -155.75 153.76 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.615 0.245 . . . . 0.0 110.371 -177.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.8 p -121.71 137.39 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -75.74 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.511 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 50.1 tt0 -179.58 -57.96 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 119.308 -0.377 . . . . 0.0 111.5 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 26.9 Cg_exo -60.98 -26.71 83.64 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 121.947 1.765 . . . . 0.0 112.585 -170.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.07 -43.17 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 109.751 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.7 mm -70.65 -30.98 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 115' ' ' PRO . 16.8 m120 -62.55 -46.05 90.15 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.6 mm-40 -60.0 -41.38 91.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.0 mm -59.1 -44.45 91.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.0 p -67.35 -28.41 67.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.08 -41.49 64.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.305 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -60.09 -53.7 54.67 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.86 -35.79 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.248 0.546 . . . . 0.0 110.595 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -70.53 -47.89 58.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.291 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ptm -66.92 -39.0 87.25 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.55 -23.08 67.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 111.272 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.32 98.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.08 -29.15 43.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.792 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.54 69.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.799 175.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.35 23.79 64.89 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.247 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -82.39 4.03 25.65 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.064 0.935 . . . . 0.0 110.328 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.438 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.123 175.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.349 0.119 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.86 -15.36 46.92 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.478 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -116.77 22.85 12.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.676 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' B' ' 12' ' ' ASN . 9.0 t -68.26 -27.1 66.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.477 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' B' ' 11' ' ' THR . 12.3 p30 -145.97 153.63 49.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.74 -35.0 67.24 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.09 2.527 . . . . 0.0 113.042 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.19 -51.25 60.32 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.794 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.6 -32.29 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.504 -0.409 . . . . 0.0 110.637 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.95 77.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.224 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.41 -27.26 63.18 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 110.828 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.467 ' HA ' HD21 ' B' ' 21' ' ' ASN . 43.4 m-20 -65.68 -38.71 90.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.96 -38.15 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.66 -56.07 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.467 HD21 ' HA ' ' B' ' 18' ' ' ASN . 10.4 p30 -72.67 -29.78 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.243 -174.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.438 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 35.6 t -68.7 -25.9 65.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.399 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -75.23 -51.38 13.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.958 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.4 mmm -61.57 -36.16 79.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.142 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -71.42 -27.13 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.41 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.21 -35.8 14.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.36 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.41 -29.08 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.644 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' B' ' 38' ' ' LEU . 20.4 t -69.51 3.96 2.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.903 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -119.99 9.07 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.355 0.598 . . . . 0.0 109.93 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -95.85 141.01 22.57 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.3 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.83 -23.81 30.06 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.677 2.251 . . . . 0.0 112.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.94 70.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.21 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -126.16 133.31 51.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.0 0.428 . . . . 0.0 111.02 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.422 HG23 ' HA3' ' B' ' 86' ' ' GLY . 24.3 p -99.06 170.27 8.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.33 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.338 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -73.89 -37.53 64.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -74.86 -40.59 60.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.436 0.636 . . . . 0.0 110.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' B' ' 28' ' ' SER . 76.8 mt -65.49 -24.62 67.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.436 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -35.86 81.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.821 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.48 -42.0 13.11 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.803 -174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 12.4 ptm -71.14 -22.85 62.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -64.79 -12.41 47.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.2 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.5 m -74.88 -17.65 60.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.672 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 50.9 mt -96.36 -26.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.4 0.619 . . . . 0.0 109.923 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.21 -56.3 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.345 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.26 0.16 45.14 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 5.5 p -86.89 -42.14 13.45 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.294 173.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mmm -59.04 -38.56 79.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -66.2 -34.32 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -74.69 -36.06 62.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.494 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 14.1 m -61.46 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.09 -48.35 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.771 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.88 -37.42 79.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.258 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -34.32 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' B' ' 60' ' ' ARG . 97.1 mt -70.74 -36.13 73.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 110.46 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -39.14 70.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.034 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.5 -29.22 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.457 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 49.8 mt-30 -87.75 -31.45 19.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.317 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.6 31.69 5.4 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.583 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.457 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -112.85 17.54 18.9 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.133 0.492 . . . . 0.0 110.566 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.415 HG22 HD21 ' B' ' 66' ' ' LEU . 0.8 OUTLIER -77.21 123.12 25.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.121 178.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 37.8 p -138.57 164.72 37.99 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 11.2 Cg_endo -53.34 -36.35 78.36 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.162 1.908 . . . . 0.0 111.849 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.83 -42.41 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -61.3 -44.77 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.834 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.415 HD21 HG22 ' B' ' 61' ' ' THR . 93.0 mt -69.17 -39.43 78.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 34.5 tt0 -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.145 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.69 0.18 9.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.826 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -111.65 11.6 21.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.171 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -54.21 4.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.325 176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.51 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 91.7 mmm -75.97 -29.6 58.31 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.08 -31.21 61.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.89 0.376 . . . . 0.0 111.186 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -83.19 -44.81 14.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.95 -37.78 83.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -77.56 -35.0 53.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.608 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.5 p -71.53 -33.02 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 0.0 110.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.551 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.6 mmt -71.26 -25.75 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 -43.9 50.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.068 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.637 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 14.9 pt-20 -66.06 -39.85 90.43 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 76' ' ' SER . 20.3 mt -61.46 -39.98 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.491 0.662 . . . . 0.0 109.285 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.507 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -72.0 -40.65 68.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.311 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.08 38.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.921 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -105.41 -68.08 0.88 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 110.793 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.91 163.85 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.326 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.613 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 7.9 pt-20 -155.68 164.77 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.067 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -99.07 -99.02 2.16 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.114 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.03 11.05 29.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.096 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.41 142.83 14.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.9 m -78.72 -172.38 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.238 0.215 . . . . 0.0 111.124 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.551 ' HA ' ' CD ' ' B' ' 93' ' ' LYS . 49.0 tp -56.97 -35.09 68.75 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.738 0.304 . . . . 0.0 111.785 -175.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -77.16 -20.36 55.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.056 0.455 . . . . 0.0 110.935 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.5 m -89.65 -50.63 5.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.369 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.613 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 14.7 ptmt -60.34 -39.24 86.42 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.606 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -64.91 -43.61 92.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.221 0.534 . . . . 0.0 110.705 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -67.59 -35.19 78.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.659 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -58.06 -48.46 80.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.171 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mt -67.46 -40.26 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.0 83.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.337 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -77.09 -22.73 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.04 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -87.62 -32.25 19.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.303 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.7 mmt -67.56 -39.08 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.191 0.52 . . . . 0.0 110.257 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.2 p -69.32 -48.88 60.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.56 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.3 p-10 -65.27 -22.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.162 -173.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.49 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -73.05 -33.16 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.804 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.425 HD11 HG12 ' B' ' 112' ' ' VAL . 6.9 mp -75.04 2.72 9.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 75.6 mm-40 -99.24 -47.67 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.286 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -78.95 -66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.173 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 11.5 p -82.85 -38.56 22.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.47 8.53 40.45 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.81 148.64 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.764 -0.718 . . . . 0.0 109.753 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.425 HG12 HD11 ' B' ' 106' ' ' LEU . 2.2 p -111.29 132.58 59.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.778 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.38 -91.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.867 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 38.7 tt0 178.99 -60.28 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 21.0 Cg_exo -65.26 -34.81 43.63 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.824 1.682 . . . . 0.0 112.842 -171.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.585 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.8 t80 -54.01 -50.07 67.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.341 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.56 -33.29 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.727 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -67.45 -33.47 75.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 27.0 mm-40 -73.9 -36.24 64.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.832 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 116' ' ' PHE . 33.7 mm -60.35 -44.83 96.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.3 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -62.17 -36.82 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.793 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -67.7 -40.91 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.596 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.8 mt -60.85 -53.72 53.83 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.441 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 120' ' ' ILE . 40.0 t -59.58 -34.18 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.17 0.51 . . . . 0.0 110.806 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 20.5 t -85.63 -20.45 29.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.972 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.5 ptm -83.55 -45.06 13.97 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.316 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -63.08 -17.37 62.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.072 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.72 99.76 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.461 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.403 ' HB2' HE21 ' B' ' 129' ' ' GLN . 1.9 mp0 -74.84 -34.11 62.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.628 0.251 . . . . 0.0 110.599 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.27 -52.56 64.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.038 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.06 22.11 64.53 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.05 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -79.76 -1.03 36.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.856 0.836 . . . . 0.0 110.586 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.507 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.791 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.82 -15.3 46.84 Favored 'Trans proline' 0 C--N 1.34 0.086 0 C-N-CA 122.264 1.976 . . . . 0.0 112.597 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -117.44 14.69 14.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 8' ' ' THR . 13.3 t -82.95 -23.03 33.61 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.03 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -128.97 132.07 24.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.21 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -40.37 80.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 111.782 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ASN . . . -58.92 -35.19 81.93 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.983 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.55 -41.83 23.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.751 0.276 . . . . 0.0 110.462 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.72 81.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.677 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -32.73 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 111.34 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER -73.4 -26.04 60.81 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.099 0.476 . . . . 0.0 110.266 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.26 -42.93 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.985 174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.2 mtt -76.64 -42.14 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -58.96 -44.59 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.395 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 p -74.75 -33.44 62.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -58.28 -48.47 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mmm -59.3 -36.68 76.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.494 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -68.31 -29.4 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.297 0.57 . . . . 0.0 111.181 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.77 -30.12 24.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.051 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -78.54 -28.4 46.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' A' ' 38' ' ' LEU . 52.4 p -64.04 -21.81 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -104.17 23.95 12.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.563 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 mmt -103.24 135.61 19.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.78 -13.38 32.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.032 2.488 . . . . 0.0 112.452 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.45 -37.1 94.29 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.111 -0.95 . . . . 0.0 113.124 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -109.03 172.07 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.902 -173.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.7 p -110.07 162.51 14.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.539 173.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.51 66.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.646 ' NE2' ' HB2' ' A' ' 84' ' ' GLU . 46.9 mt-30 -69.93 -44.13 70.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.252 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 28' ' ' SER . 4.5 mm? -59.2 -33.35 70.86 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.764 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.95 -32.15 68.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 29.7 t70 -81.48 -46.93 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.728 0.299 . . . . 0.0 110.877 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 10.2 ptp -69.24 -22.02 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.188 -178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 t -59.38 -32.62 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.028 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -63.95 -40.63 96.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.59 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -70.29 -42.11 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.233 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.74 48.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.102 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.55 ' HA ' HG22 ' A' ' 49' ' ' VAL . 2.0 pt20 -77.24 -23.86 51.23 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.483 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -66.64 -40.48 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.133 0.492 . . . . 0.0 109.894 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.4 mmm -69.95 -38.87 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.983 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.0 m -72.19 -35.15 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.314 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -69.23 -36.1 76.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.68 0.276 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -72.19 -38.47 69.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.709 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' MET . 68.1 mt -59.75 -47.54 90.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 110.449 174.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.44 -39.43 83.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.763 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -46.05 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.27 -32.97 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.097 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.3 92.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 0.0 110.441 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.88 65.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.058 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 27.1 mt-30 -82.5 -5.41 58.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.272 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.98 41.91 70.31 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.921 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 14.0 mmm180 -111.26 -3.35 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.062 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -83.52 124.7 31.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.601 0.715 . . . . 0.0 112.556 -172.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.505 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 32.8 m -153.09 162.29 26.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 175.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 3.3 Cg_endo -45.57 -52.59 6.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.173 2.582 . . . . 0.0 113.279 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.69 -30.46 71.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.2 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 26.4 mmmt -73.06 -43.79 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.24 0.543 . . . . 0.0 110.321 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.63 -31.65 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.209 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.29 -45.02 88.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.467 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.523 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -72.21 -3.64 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.614 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 69' ' ' LEU . 25.7 mt -112.39 3.18 16.79 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.535 0.683 . . . . 0.0 109.307 174.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HA ' HD22 ' A' ' 70' ' ' ASN . 2.3 t-20 -87.1 -48.31 8.18 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.527 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 96.7 mmm -72.84 -31.94 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.223 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.95 -35.2 68.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.0 111.163 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.1 t80 -77.87 -43.62 29.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -63.18 -30.69 71.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.707 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 p -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.314 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.644 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 p -68.61 -23.93 64.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.247 0.546 . . . . 0.0 111.428 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 28.9 mmt -77.37 -21.58 53.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.153 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.7 -40.07 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.644 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 11.2 pt-20 -65.24 -38.9 91.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.681 0.277 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' SER . 19.5 mt -66.2 -42.09 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.41 0.624 . . . . 0.0 109.911 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 93' ' ' LYS . . . -63.24 -39.28 94.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.283 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.16 9.09 15.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.517 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -105.37 -69.76 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.682 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.646 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 15.6 mp0 -84.58 151.28 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.934 0.873 . . . . 0.0 111.912 -174.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 10.1 pt-20 -93.25 -151.33 0.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.796 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.65 -138.02 7.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.129 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.95 -13.02 59.67 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.36 123.02 5.89 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -69.36 176.91 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.35 0.26 . . . . 0.0 111.113 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 58.4 tp -55.41 -40.33 71.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.937 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -63.81 -39.57 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.67 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -70.86 -31.13 67.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.234 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 37' ' ' GLN . 41.2 mmtm -59.66 -43.81 93.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.345 0.593 . . . . 0.0 109.971 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.47 65.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.063 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.3 m -62.69 -38.36 90.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.912 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 p -68.22 -45.38 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.043 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.4 mt -62.23 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.593 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.41 -43.71 71.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.92 0.391 . . . . 0.0 111.125 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.65 -51.14 69.7 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.03 64.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.562 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.2 -46.99 84.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.049 0.452 . . . . 0.0 109.968 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -36.63 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.133 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -63.92 -42.9 97.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.082 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -36.29 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -63.57 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.289 0.566 . . . . 0.0 110.622 174.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.07 -8.38 56.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.016 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -98.1 -27.56 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -90.69 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.766 0.317 . . . . 0.0 111.705 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 p -94.74 -49.2 5.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.036 0.446 . . . . 0.0 111.092 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.12 -1.98 9.07 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -137.92 149.27 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.26 142.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.915 0.388 . . . . 0.0 110.959 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -101.82 112.97 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.66 -48.99 91.72 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.34 -46.5 19.76 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.098 1.865 . . . . 0.0 112.509 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.0 -53.04 62.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.51 -38.97 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.96 -40.93 95.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.437 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.86 -29.73 70.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.402 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 35.8 mm -65.57 -34.1 68.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.9 p -64.44 -33.44 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -69.57 -31.62 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.496 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.94 -48.9 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.8 t -62.17 -35.87 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -73.02 -41.29 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.582 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -71.92 -38.21 69.91 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.642 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.22 -12.91 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.713 0.292 . . . . 0.0 111.161 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.03 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.0 mp0 -76.66 -32.72 58.14 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.414 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.67 -59.14 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.457 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.61 61.39 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.161 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -82.12 9.52 8.42 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.483 0.659 . . . . 0.0 111.408 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.437 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.308 -1.224 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.834 177.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.623 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.1 p . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.9 -12.92 36.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.306 2.004 . . . . 0.0 112.792 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -126.7 17.29 7.46 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.623 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 11.5 t -79.53 -26.44 41.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.753 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.561 ' HB2' HD23 ' B' ' 15' ' ' LEU . 88.4 m-20 -134.46 151.3 75.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.416 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 12' ' ' ASN . 13.2 Cg_exo -70.85 7.96 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.813 2.342 . . . . 0.0 111.79 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.85 -2.04 32.14 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.8 mm? -118.78 -31.29 4.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.05 88.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.133 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -28.41 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.994 0.425 . . . . 0.0 110.752 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.16 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.429 173.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.09 -47.64 84.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.859 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 14.1 mmt -58.68 -51.48 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.432 0.634 . . . . 0.0 110.675 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 47.6 m-80 -62.98 -46.83 85.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.154 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.8 m -60.95 -31.18 70.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.861 0.363 . . . . 0.0 111.001 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -70.07 -52.05 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.7 -35.8 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.639 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 98.0 mt-30 -64.19 -28.59 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.254 0.549 . . . . 0.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.89 -23.22 30.88 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.323 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' B' ' 33' ' ' PHE . 49.6 tp -82.31 -29.88 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 0.0 111.205 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -74.12 5.23 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.914 0.387 . . . . 0.0 111.838 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -120.86 12.61 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.094 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mmt -95.4 132.75 27.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.11 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.59 -19.5 32.1 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.229 2.619 . . . . 0.0 113.459 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -20.31 73.8 Favored Glycine 0 C--N 1.32 -0.328 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.347 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.4 ' CE1' HD11 ' B' ' 27' ' ' LEU . 26.0 m-85 -106.0 174.13 6.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p -116.58 168.99 9.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.07 85.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -63.99 -41.56 97.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.18 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.31 -47.75 63.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.277 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.09 -36.31 74.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.023 0.439 . . . . 0.0 110.677 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.48 -44.34 91.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.587 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.35 -51.05 16.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.332 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 10.6 ptm -71.07 -21.18 62.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.7 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -64.85 -19.35 65.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.998 0.427 . . . . 0.0 110.292 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 43.3 m -72.82 -40.88 65.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mt -72.14 -32.93 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.266 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.427 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -51.94 -51.93 53.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.069 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.2 pt20 -78.54 -22.56 47.1 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.454 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -65.48 -40.95 93.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 0.0 109.957 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.429 ' O ' HG13 ' B' ' 52' ' ' ILE . 94.7 mmm -73.13 -27.11 61.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.401 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 10.6 m -81.77 -38.84 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.085 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -72.34 -30.42 64.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.591 0.234 . . . . 0.0 111.332 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 2.9 p -66.61 -43.02 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 48' ' ' MET . 81.8 mt -58.69 -44.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 176.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 49' ' ' VAL . 82.1 mt-30 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.097 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -67.24 -33.67 75.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.629 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 51' ' ' SER . 71.1 mt -72.49 -37.33 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 176.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.416 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.17 87.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 111.083 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.95 -17.27 41.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.195 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.24 41.72 8.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.93 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' B' ' 55' ' ' LEU . 9.4 mmm180 -102.57 -1.01 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.43 127.35 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.292 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.456 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 15.5 m -150.4 161.43 30.64 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 9.3 Cg_endo -51.23 -42.56 53.41 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.685 2.257 . . . . 0.0 112.624 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.49 -46.43 90.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 45.8 mmtt -59.21 -47.6 84.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.3 0.572 . . . . 0.0 109.977 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.85 -42.96 84.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.885 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 33.5 tt0 -61.26 -50.05 74.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.89 -33.85 74.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 mt -76.26 -5.16 45.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.299 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -85.79 -45.05 11.97 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 170.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.0 mmm -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.541 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.57 -24.57 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 111.282 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' B' ' 77' ' ' MET . 78.6 t80 -82.55 -41.14 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.266 0.555 . . . . 0.0 109.623 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.42 -37.37 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.444 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.0 p -70.56 -45.55 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.549 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.3 p -66.17 -33.75 76.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 111.379 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.495 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.7 mmt -70.2 -28.03 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.338 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.78 -44.86 47.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.061 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 12.1 pt-20 -64.18 -37.66 88.28 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.726 0.298 . . . . 0.0 110.964 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 76' ' ' SER . 19.1 mt -66.39 -43.48 91.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.216 0.531 . . . . 0.0 110.314 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.4 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.319 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.31 4.93 7.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.579 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -100.99 -64.46 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.391 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -90.96 133.64 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 112.127 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 89' ' ' SER . 10.3 mm-40 -112.3 -166.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.025 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.21 -79.09 0.32 Allowed Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.0 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 -5.0 63.85 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.18 138.74 6.75 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.467 ' HA ' ' OE2' ' B' ' 85' ' ' GLU . 23.2 m -83.85 168.47 16.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.784 0.292 . . . . 0.0 111.083 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.28 -36.19 75.1 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.2 m -60.43 -35.56 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.31 0.576 . . . . 0.0 110.323 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -77.42 -36.91 52.8 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.868 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' B' ' 81' ' ' ALA . 41.7 mmtm -53.74 -55.51 25.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.465 0.65 . . . . 0.0 109.946 174.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -55.29 -47.99 74.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.696 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 29.2 m -69.24 -42.15 76.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.753 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.3 p -65.31 -44.14 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.267 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.07 -47.05 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.672 0.272 . . . . 0.0 110.484 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.33 -46.78 85.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -65.35 -41.86 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.04 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.291 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.42 ' SD ' HG13 ' B' ' 120' ' ' ILE . 39.5 mtt -67.22 -42.57 83.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.813 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.2 m -57.46 -38.82 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.324 0.583 . . . . 0.0 110.124 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.2 t30 -64.23 -43.8 93.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.929 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.46 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.457 -178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 27.8 m-85 -63.35 -39.68 95.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.04 -21.88 60.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 68.0 mm-40 -83.14 -42.12 17.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.608 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.8 p -71.21 -76.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.086 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 8.7 t -98.77 -21.99 16.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.3 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.87 12.86 26.91 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.272 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -151.13 148.92 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.48 140.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 0.0 111.009 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -100.76 113.82 27.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.557 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.518 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 21.8 mp0 -58.5 -51.3 82.82 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' B' ' 114' ' ' GLN . 85.4 Cg_exo -48.57 -44.77 29.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 122.078 1.852 . . . . 0.0 112.688 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.557 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.2 t80 -57.91 -58.62 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.46 -35.5 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -65.98 -41.61 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.069 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 57.6 mm-40 -67.74 -31.53 71.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.557 HG12 ' O ' ' B' ' 116' ' ' PHE . 35.3 mm -62.65 -40.74 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 59.9 p -61.09 -33.29 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.001 0.429 . . . . 0.0 110.727 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.0 -38.17 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.442 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.38 -51.34 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.657 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.79 -35.09 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.126 0.489 . . . . 0.0 110.443 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 53.7 m -73.48 -48.08 36.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -64.37 -41.22 96.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.92 -20.95 66.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 111.648 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.5 84.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' B' ' 129' ' ' GLN . 2.0 mp0 -84.66 -21.21 30.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.019 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.8 -54.41 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.517 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.34 12.63 58.81 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.836 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.55 7.93 21.19 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.572 0.701 . . . . 0.0 111.19 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.12 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 19.9 p . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 37.5 Cg_endo -68.1 5.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.544 2.163 . . . . 0.0 113.176 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 9.5 p90 -137.46 18.68 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 14.5 t -83.53 -10.33 58.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -146.82 150.63 39.96 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.957 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -32.05 67.92 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.015 2.476 . . . . 0.0 112.814 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -56.04 24.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.191 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.2 -35.5 81.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.627 0.214 . . . . 0.0 111.16 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.7 95.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.222 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.38 -42.52 98.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.506 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -65.14 -41.99 94.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -49.88 -45.22 50.42 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.452 0.47 . . . . 0.0 111.267 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.44 -51.34 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -67.64 -39.77 84.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.243 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 34.3 m -66.25 -24.46 66.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.236 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 73.7 t80 -81.64 -51.44 8.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.24 -31.3 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.514 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 22.3 pt20 -66.14 -28.71 69.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.411 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.13 -35.47 6.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.2 tp -70.95 -26.58 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.059 0.456 . . . . 0.0 110.687 -175.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 p -75.21 -0.17 18.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -113.01 5.13 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.278 0.561 . . . . 0.0 109.648 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 mmt -98.98 148.82 35.09 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.29 160.72 46.36 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.361 2.041 . . . . 0.0 111.184 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 102.28 -38.14 3.34 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.38 177.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 93' ' ' LYS . 77.1 m-85 -103.59 123.03 46.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -91.22 170.28 10.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.664 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.96 67.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -68.37 -46.1 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' MET . 85.7 mm-40 -72.13 -37.5 69.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.96 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.1 -45.7 92.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.25 -46.77 75.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 6.9 ptp -73.58 -30.61 63.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.179 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -65.22 -27.04 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.251 0.548 . . . . 0.0 109.752 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.9 m -67.03 -40.49 87.22 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.994 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' HG2' ' A' ' 48' ' ' MET . 38.0 mt -72.89 -35.34 48.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.511 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.45 32.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.2 pt20 -75.02 -21.94 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.438 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 29.1 t -66.34 -43.12 86.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 92.9 mmm -66.22 -41.84 89.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.83 -178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.662 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 14.4 m -67.39 -31.52 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.541 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -75.01 -29.73 60.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 110.708 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 36.7 m -59.59 -44.25 93.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 48' ' ' MET . 72.7 mt -62.57 -47.13 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.552 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 73.2 mm-40 -56.62 -46.32 81.0 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -64.1 -34.93 79.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.979 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 51' ' ' SER . 62.0 mt -78.49 -36.79 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.029 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.9 -36.0 72.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.155 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.98 95.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.504 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -72.26 -46.89 54.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.471 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.9 53.68 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.807 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -136.6 24.97 3.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 176.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -86.29 118.28 25.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.302 0.572 . . . . 0.0 111.143 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 p -135.55 160.12 68.96 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.3 Cg_endo -50.66 -41.06 55.07 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.557 2.171 . . . . 0.0 112.027 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -68.32 -43.29 77.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.465 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.26 -47.65 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.752 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -68.77 -39.43 80.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.967 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.678 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.3 tt0 -56.31 -41.56 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.979 0.419 . . . . 0.0 110.733 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.49 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.77 -39.22 17.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.45 -46.64 69.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.097 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.4 mmm -69.74 -34.64 74.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -63.79 -34.6 78.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.501 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.2 t80 -71.98 -46.17 58.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.043 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.79 -35.95 77.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.7 p -76.14 -38.02 57.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.9 p -68.84 -37.64 79.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 0.0 110.791 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 110.119 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.46 -49.26 27.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.086 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.68 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -69.31 -32.52 71.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.528 HD11 HD12 ' A' ' 44' ' ' ILE . 17.7 mt -59.69 -48.47 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.82 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.2 57.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.644 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.7 t -96.48 -77.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -123.99 171.15 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -154.0 174.74 14.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.192 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.07 0.76 9.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.886 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.63 60.41 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.696 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -166.6 118.42 0.79 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 11.8 m -54.49 148.02 12.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.806 -172.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' HZ3' ' A' ' 93' ' ' LYS . 50.3 tp -58.38 -52.47 65.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.647 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 p -60.25 -34.7 74.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.949 0.404 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 32.6 m -64.25 -57.88 8.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 23.9 pttm -72.71 -15.97 61.68 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.3 m -66.45 -42.4 87.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.261 0.553 . . . . 0.0 110.083 173.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -73.01 -28.01 62.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.972 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.716 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.17 -47.23 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.162 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.27 75.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.119 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.5 m -63.53 -41.33 98.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.826 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -91.4 -19.96 22.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.0 -47.74 79.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.139 0.495 . . . . 0.0 109.997 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -64.84 -36.44 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.004 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.542 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . 1.7 t-20 -54.53 -57.97 9.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.708 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.43 57.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.493 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -65.33 -33.21 75.44 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 111.549 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.29 -13.77 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.631 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.54 -38.07 15.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.357 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -84.89 -69.79 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.1 p -93.04 -42.77 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.43 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.47 4.48 28.6 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.476 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.99 147.31 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.409 . . . . 0.0 110.25 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.79 123.79 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.2 114.37 18.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 64.3 tt0 -65.69 -47.67 65.87 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.6 Cg_exo -49.9 -42.02 45.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.003 1.802 . . . . 0.0 112.354 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 120' ' ' ILE . 34.9 t80 -53.13 -51.31 62.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.16 -37.99 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.86 -44.56 85.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -58.37 -41.3 84.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 116' ' ' PHE . 28.7 mm -60.59 -42.14 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -70.65 -25.31 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.899 0.38 . . . . 0.0 111.055 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -73.43 -33.2 64.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.72 -48.82 79.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.838 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.01 -39.59 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.5 t -79.57 1.32 26.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.877 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.403 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 27.3 ptm -113.59 -37.96 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.174 176.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.9 -23.57 67.4 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.56 77.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.483 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 1.5 mp0 -89.06 -13.22 39.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.65 18.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.23 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.61 13.24 83.16 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.677 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -89.01 12.7 14.77 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 122.102 0.953 . . . . 0.0 110.198 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.571 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.309 -1.185 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.222 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 11' ' ' THR . 6.8 p . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.437 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 34.8 Cg_endo -66.19 -0.7 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.707 2.271 . . . . 0.0 112.978 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . 0.437 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 7.1 p90 -130.87 23.84 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.126 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 8' ' ' THR . 15.0 t -85.84 -11.85 52.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.724 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.4 HD22 HG23 ' B' ' 11' ' ' THR . 10.1 p30 -144.29 150.09 47.08 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.81 -34.48 75.46 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.055 2.503 . . . . 0.0 113.017 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.3 -59.24 11.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.781 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.23 -37.76 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.666 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -71.41 -41.81 69.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.45 -29.24 69.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.15 -45.01 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.547 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.7 mmt -64.01 -44.75 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.877 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -63.03 -45.27 93.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.51 ' HA ' ' NE2' ' B' ' 25' ' ' GLN . 50.3 m -65.54 -29.7 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.557 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 70.3 t80 -73.79 -55.65 5.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.34 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.32 -34.95 77.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.53 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' B' ' 22' ' ' SER . 20.2 pt20 -65.44 -24.99 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.504 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.6 -35.27 5.97 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' B' ' 23' ' ' PHE . 53.8 tp -69.5 -30.81 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -73.17 0.89 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.085 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -117.81 11.86 13.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.623 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.7 mmt -97.94 149.95 36.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.69 160.71 40.69 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.972 1.781 . . . . 0.0 111.163 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . 0.612 ' HA2' ' N ' ' B' ' 88' ' ' GLY . . . 100.71 -49.82 1.07 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.692 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.2 138.1 31.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.819 0.343 . . . . 0.0 110.28 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -98.33 165.08 12.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.39 72.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.747 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -72.4 -26.84 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 111.447 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 41' ' ' MET . 97.7 mt-30 -85.19 -35.41 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.42 -31.93 73.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.351 0.596 . . . . 0.0 109.585 171.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.44 -32.45 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.246 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.03 -40.62 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.838 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 5.8 ptp -80.36 -28.84 37.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -63.03 -18.9 63.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.045 0.45 . . . . 0.0 110.71 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 m -66.45 -40.99 89.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.314 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 53.9 mt -75.25 -30.75 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.59 65.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.118 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.429 ' O ' HG22 ' B' ' 49' ' ' VAL . 0.9 OUTLIER -92.36 -27.02 17.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.724 -177.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 64.8 p -66.86 -36.94 83.46 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.175 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.527 ' O ' HG13 ' B' ' 52' ' ' ILE . 91.7 mmm -63.02 -46.24 88.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 5.7 m -70.51 -32.8 51.09 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.386 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.74 -38.93 92.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.438 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 69.0 m -68.37 -37.7 80.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.397 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 48' ' ' MET . 59.5 mt -56.62 -48.62 80.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.37 175.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 60.7 mm-40 -62.36 -40.58 96.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.298 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.9 m -65.62 -37.17 85.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.212 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 51' ' ' SER . 87.2 mt -68.04 -36.82 80.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.696 0.284 . . . . 0.0 110.64 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.63 -40.09 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.13 96.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.99 -56.49 6.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.48 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.84 46.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.347 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 23.11 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.997 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.09 149.49 25.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.411 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.9 p -167.51 162.11 10.14 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 10' ' ' TRP . 8.8 Cg_endo -51.55 -35.17 55.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.368 2.045 . . . . 0.0 112.029 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -68.32 -51.5 43.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.204 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -41.23 84.8 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.074 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.4 -34.8 63.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.087 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.571 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.1 tt0 -63.86 -42.6 97.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.407 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.68 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -59.96 -33.08 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.531 0.681 . . . . 0.0 110.758 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.28 -8.24 58.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.113 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 13.6 m120 -78.42 -48.52 15.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.435 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.36 -40.81 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.889 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.27 -27.69 67.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.075 0.465 . . . . 0.0 111.374 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' B' ' 77' ' ' MET . 68.7 t80 -79.57 -43.93 22.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.206 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.48 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 23.7 p -73.45 -44.04 59.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.46 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -64.06 -36.48 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 110.776 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.596 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 28.0 mmt -65.11 -38.69 91.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.33 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.99 92.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.521 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -55.13 -53.56 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.712 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 76' ' ' SER . 27.1 mt -60.23 -45.55 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.34 90.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.851 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.69 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.257 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 34.4 t -84.37 -49.97 8.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.796 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.73 136.1 33.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -170.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.418 ' HB3' ' HD3' ' B' ' 93' ' ' LYS . 10.0 pt-20 -156.37 155.24 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.432 173.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.69 30.86 1.13 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.723 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.53 -34.04 0.29 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.612 ' N ' ' HA2' ' B' ' 32' ' ' GLY . . . -112.48 123.85 6.46 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.836 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.6 m -72.46 -176.72 1.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.613 0.245 . . . . 0.0 110.837 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.1 tp -55.14 -36.3 65.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.345 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.5 m -66.27 -23.35 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -98.99 -52.14 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.633 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 56.7 pttt -64.78 -25.52 67.96 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.5 m -66.47 -39.4 88.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.523 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.0 t -71.25 -33.35 69.75 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.384 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -58.03 -42.32 85.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.07 -45.59 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.828 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.32 -43.22 88.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.04 0.448 . . . . 0.0 111.39 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.7 t -72.92 -25.51 61.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -82.63 -36.79 25.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.889 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.39 -42.15 98.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 0.0 110.368 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -69.66 -40.43 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.637 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER -72.74 -23.25 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.999 -178.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.6 m-85 -67.36 -27.79 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.46 -15.58 61.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -88.97 -46.31 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.36 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -75.51 -66.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.186 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 111' ' ' VAL . 1.7 t -96.55 -44.39 7.18 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.542 -176.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.11 -6.24 17.42 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.766 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.8 p -125.68 151.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.19 126.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.778 0.323 . . . . 0.0 111.081 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -81.84 94.93 7.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -62.59 -42.97 82.49 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 96.3 Cg_exo -46.3 -46.68 16.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.06 1.84 . . . . 0.0 112.271 174.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.649 ' O ' HG12 ' B' ' 120' ' ' ILE . 68.2 t80 -56.16 -52.08 65.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.414 176.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.5 mm -57.71 -41.76 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.089 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.65 -43.68 92.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.264 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 29.8 mm-40 -66.93 -28.47 68.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.012 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.649 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -61.82 -41.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.256 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -61.45 -30.41 70.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.698 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -74.53 -35.66 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.07 -51.94 67.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.35 -32.97 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.277 0.561 . . . . 0.0 110.937 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 8.8 t -86.82 -26.88 23.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.759 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -78.56 -37.31 43.02 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.624 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -67.08 -20.97 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.104 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.93 78.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.582 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -76.08 -25.79 55.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.373 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.88 3.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.18 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.56 29.0 73.97 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.451 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -84.17 12.33 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.678 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.084 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' THR . 12.1 p . . . . . 0 N--CA 1.445 -0.696 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.31 -23.72 56.08 Favored 'Trans proline' 0 C--O 1.224 -0.207 0 C-N-CA 122.038 1.825 . . . . 0.0 112.309 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 23.8 p90 -111.21 16.87 20.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.104 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' THR . 14.5 t -74.41 -17.16 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' A' ' 11' ' ' THR . 12.8 p30 -160.22 157.26 24.58 Favored Pre-proline 0 C--O 1.234 0.285 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.22 3.05 3.75 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.99 2.46 . . . . 0.0 113.147 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.34 6.81 59.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.981 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -131.2 -30.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.595 0.235 . . . . 0.0 110.781 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.59 67.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.065 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -37.56 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -61.68 -28.94 69.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.966 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.83 -32.94 72.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.599 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtt -85.56 -42.7 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 109.576 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 85.9 m-20 -57.2 -46.42 82.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.739 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 m -64.88 -38.44 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.784 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 66.1 t80 -63.83 -52.77 58.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.6 mmm -57.66 -42.78 84.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.457 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 79.3 mm-40 -62.94 -44.67 95.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.66 90.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.557 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 51.2 tp -67.18 -31.95 72.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 0.0 111.266 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 t -65.9 -10.52 39.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.977 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 t -110.39 15.98 21.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.16 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.8 mmt -104.05 151.12 38.91 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.537 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 165.4 31.25 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 111.255 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 98.86 -39.32 2.78 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.783 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -90.84 165.0 13.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.947 0.404 . . . . 0.0 111.639 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -112.76 -169.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.448 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -34.91 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.019 0.438 . . . . 0.0 110.794 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -80.35 -35.18 35.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.565 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -78.6 1.34 22.99 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.932 0.396 . . . . 0.0 111.511 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.17 -18.71 19.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.01 170.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.05 -52.79 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.561 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -47.36 85.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.98 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.9 ptp -65.29 -36.74 85.01 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.2 m -66.73 -25.77 66.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.432 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 35.0 m -66.31 -47.74 72.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.105 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 80' ' ' ILE . 55.9 mt -64.37 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -52.88 -52.81 56.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.112 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.541 ' HA ' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -70.44 -18.53 63.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -177.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' B' ' 51' ' ' SER . 48.9 m -75.38 -41.68 55.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.436 176.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 82.5 mmm -73.09 -38.1 66.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.684 -177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.3 m -69.68 -39.82 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.538 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.9 -34.86 64.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.0 p -66.79 -45.67 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 110.401 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.4 -44.46 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.84 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 78.8 mt-30 -61.36 -42.93 99.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -64.38 -40.17 95.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.408 . . . . 0.0 110.54 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 59.3 mt -66.87 -37.86 85.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.097 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.13 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.39 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.43 3.23 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.88 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.73 95.08 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.518 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 13.6 mmm180 -101.93 -1.47 31.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 -177.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 p -85.79 148.25 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.212 0.53 . . . . 0.0 112.137 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -150.48 151.07 30.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.65 -58.59 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.034 2.49 . . . . 0.0 113.179 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -62.09 -36.03 80.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 0.0 111.602 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 17.6 ttpt -73.59 -29.77 62.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.917 -176.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.39 -32.72 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.238 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.563 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.0 tt0 -65.16 -42.14 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.98 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.451 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.61 4.96 8.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 111.682 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 10' ' ' TRP . 5.3 m-80 -98.39 -46.35 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 84.1 mmm -60.81 -46.69 89.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.687 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -51.91 -39.62 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.387 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.3 t80 -68.95 -49.51 57.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.256 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -59.64 -37.74 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.636 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 50.4 m -63.21 -54.64 34.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.556 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 66.2 m -61.53 -30.27 70.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 24.7 mmt -66.58 -33.43 75.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.1 0.476 . . . . 0.0 109.836 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -46.96 43.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.948 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 75' ' ' SER . 67.7 mt-10 -53.93 -52.61 60.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 76' ' ' SER . 20.4 mt -58.72 -44.79 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.085 0.469 . . . . 0.0 111.332 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.62 84.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.399 0.619 . . . . 0.0 111.076 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.5 -2.06 48.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.676 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -78.85 -73.95 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.981 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -113.87 153.24 29.52 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.729 0.776 . . . . 0.0 111.628 -175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -112.51 167.12 10.71 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.364 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.15 -57.14 0.19 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.929 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.81 -26.99 13.36 Favored Glycine 0 CA--C 1.509 -0.321 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.886 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -169.18 150.31 15.26 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 p -55.34 157.84 3.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.503 -170.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.36 -52.84 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.353 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.53 -39.49 88.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.517 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -60.42 -51.88 67.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.348 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -75.95 -10.77 59.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.76 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -69.14 -44.55 72.08 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.7 t -63.74 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.071 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 35.3 m -56.25 -46.69 79.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.3 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.08 -47.16 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.682 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.45 90.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -67.08 -35.32 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.1 -39.13 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.33 -52.35 65.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -58.44 -48.32 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.524 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -54.45 -39.18 67.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.656 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.13 -28.99 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 48.9 m-85 -70.71 -35.86 72.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.197 0.522 . . . . 0.0 110.445 178.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.54 -17.11 60.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.547 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.9 mm-40 -86.79 -30.81 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 p -92.97 -68.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.636 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.7 p -87.91 -38.15 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.423 . . . . 0.0 111.1 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.17 12.61 31.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.0 p -153.59 150.16 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.68 131.94 66.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.93 125.14 41.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.805 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.51 -44.24 91.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -43.08 -48.11 8.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.515 2.143 . . . . 0.0 113.65 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.0 t80 -59.7 -45.67 91.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 110.73 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.19 -36.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -74.63 -20.94 59.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -36.9 63.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 174.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 116' ' ' PHE . 43.1 mm -66.05 -36.02 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.341 -175.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -63.48 -37.27 86.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.688 0.28 . . . . 0.0 111.142 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.71 -36.87 85.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.493 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.27 -52.84 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.672 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.68 -38.83 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.087 0.47 . . . . 0.0 110.8 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -68.92 -46.91 67.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.561 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.457 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 26.0 ptm -65.86 -43.73 87.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.493 -175.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -67.32 -24.98 65.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.619 0.247 . . . . 0.0 110.922 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.38 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 0.0 110.901 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 2.8 mt-30 -78.73 -30.06 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.22 -61.85 1.65 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.942 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.13 39.77 92.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.397 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -79.32 8.15 6.59 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.767 0.794 . . . . 0.0 111.257 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.308 -1.202 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.599 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 43.9 Cg_endo -70.58 5.73 1.89 Allowed 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.404 2.069 . . . . 0.0 112.859 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . 0.448 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 15.1 p90 -138.87 21.35 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.969 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.448 HG23 HD22 ' B' ' 12' ' ' ASN . 10.1 t -68.88 -20.39 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 111.465 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.497 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 13.6 p30 -159.34 159.34 28.59 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 8.2 Cg_endo -50.46 -23.21 10.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.762 2.975 . . . . 0.0 114.554 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.75 -18.15 64.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.645 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.04 -32.4 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.81 0.338 . . . . 0.0 110.207 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -72.09 -36.05 69.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.441 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.75 -41.22 86.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.6 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.2 mtt -66.99 -47.6 71.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.564 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -61.21 -42.77 99.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.353 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.1 m -62.41 -36.46 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.741 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' B' ' 27' ' ' LEU . 78.3 t80 -67.62 -52.49 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.674 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . 0.415 ' HB3' ' HE3' ' B' ' 24' ' ' MET . 76.8 mmm -57.51 -46.44 83.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.616 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -57.49 -43.0 83.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.965 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.29 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.568 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -66.79 -29.97 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.408 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -63.83 -12.9 40.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.547 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -111.84 11.59 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.44 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 23.3 mmt -95.86 152.27 38.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.812 -177.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.15 155.02 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.384 2.056 . . . . 0.0 111.309 174.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . 0.45 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 105.22 -31.04 8.95 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.294 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' B' ' 27' ' ' LEU . 68.8 m-85 -101.21 143.81 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.056 0.455 . . . . 0.0 111.142 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.2 p -90.03 173.06 8.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.628 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.02 89.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.551 ' HA ' ' OD2' ' B' ' 39' ' ' ASP . 64.1 m -88.44 -5.38 58.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -173.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -84.14 0.36 48.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.35 -20.68 17.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.392 170.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.551 ' OD2' ' HA ' ' B' ' 36' ' ' SER . 8.8 m-20 -65.75 -51.49 58.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.799 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -49.6 75.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.375 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 9.5 ptp -69.36 -32.83 72.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -66.32 -31.98 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.346 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 47.3 m -63.68 -41.37 98.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.191 0.52 . . . . 0.0 109.76 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.483 HD12 HD11 ' B' ' 80' ' ' ILE . 62.4 mt -67.51 -42.95 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -50.67 -51.89 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.449 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -15.94 62.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.725 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -82.37 -39.37 22.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.082 0.467 . . . . 0.0 110.153 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mmm -64.15 -46.69 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.421 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.432 HG13 ' O ' ' B' ' 45' ' ' ALA . 17.8 m -61.06 -41.26 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' B' ' 53' ' ' GLN . 47.4 mt-30 -69.1 -37.27 78.3 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.635 0.255 . . . . 0.0 111.613 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 89.7 p -65.04 -36.98 86.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.91 0.386 . . . . 0.0 110.304 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' B' ' 13' ' ' PRO . 73.3 mt -67.28 -42.8 88.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.48 ' OE1' ' HA ' ' B' ' 50' ' ' GLN . 80.2 mt-30 -61.39 -34.76 75.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -71.08 -36.62 72.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.304 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 51' ' ' SER . 83.0 mt -63.6 -34.7 78.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.43 85.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.709 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.2 79.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.927 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.69 -22.9 56.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.222 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.91 45.49 5.4 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.272 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.495 ' O ' ' HE3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -134.3 31.41 3.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 111.213 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -87.2 122.71 31.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.679 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.5 m -132.75 157.19 78.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -54.64 -57.9 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.643 2.228 . . . . 0.0 112.646 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.18 -29.47 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 4.3 tppt? -71.0 -41.19 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.648 -178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.56 -38.74 77.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.243 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.5 tt0 -61.79 -34.03 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.679 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.61 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.16 -14.03 51.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.793 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.88 -48.29 54.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.515 ' HB3' ' OE2' ' A' ' 79' ' ' GLU . 79.5 mmm -65.82 -42.55 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.49 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' OG ' ' A' ' 76' ' ' SER . . . -50.92 -42.04 59.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.115 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' B' ' 77' ' ' MET . 23.1 t80 -63.15 -50.97 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.588 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.42 -33.12 73.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.589 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -74.84 -46.0 39.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 14.6 t -69.64 -37.57 76.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.153 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.508 ' HG2' ' CE1' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.86 -7.6 49.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.443 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.42 -48.43 7.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.644 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' B' ' 79' ' ' GLU . 0.1 OUTLIER -64.94 -35.62 81.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.483 HD11 HD12 ' B' ' 44' ' ' ILE . 40.7 mt -60.57 -46.38 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.585 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.1 -1.2 24.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.785 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 60.4 m -86.07 -73.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 111.673 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.83 148.48 29.49 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 122.245 1.021 . . . . 0.0 112.584 -172.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -114.68 166.19 12.0 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 113.683 -1.598 . . . . 0.0 109.262 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.79 14.03 0.11 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.804 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.87 -38.31 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.192 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.45 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -173.36 143.89 7.44 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -48.72 158.4 0.31 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -168.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -56.16 6.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.193 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -62.22 -33.3 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.268 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 16.8 m -59.89 -50.43 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.873 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -77.15 -23.75 51.61 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.701 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 69.9 m -61.22 -45.12 95.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 109.996 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 18.2 t -65.12 -38.63 91.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.039 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.44 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 54.6 m -58.23 -46.93 85.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 177.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' B' ' 101' ' ' MET . 46.8 mt -61.25 -47.61 92.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 110.489 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.7 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.304 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -69.51 -34.73 74.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.81 58.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.631 0.253 . . . . 0.0 110.942 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 24.2 mmt -62.32 -49.46 75.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.651 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -63.12 -35.66 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.651 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.1 t30 -61.84 -42.65 99.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.971 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.42 80.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.536 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.597 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 28.8 m-85 -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 0.0 110.796 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 -18.21 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.061 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.9 mm-40 -85.15 -38.57 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 -74.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.416 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.8 t -92.08 -30.4 16.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.506 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.95 14.34 23.13 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.636 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.597 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -152.3 149.59 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.5 p -114.34 134.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.288 0.566 . . . . 0.0 112.147 -174.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -93.71 109.28 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.842 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.617 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 66.9 mt-30 -67.26 -38.84 17.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 2.6 Cg_endo -47.43 -44.0 25.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 122.009 1.806 . . . . 0.0 111.923 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.679 ' O ' HG12 ' B' ' 120' ' ' ILE . 60.1 t80 -60.02 -53.55 56.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.173 176.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.12 -42.08 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.62 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.85 -43.22 84.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.6 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.21 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.679 HG12 ' O ' ' B' ' 116' ' ' PHE . 37.9 mm -63.69 -41.48 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -177.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -60.34 -32.29 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 111.106 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -70.84 -37.36 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -58.04 -52.92 63.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.852 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.47 -44.34 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 110.574 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -68.1 -44.75 75.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.464 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.8 ptm -66.99 -37.76 84.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.166 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.04 72.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.042 0.449 . . . . 0.0 110.562 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 3.0 mt-30 -78.84 -27.33 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.826 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.21 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.15 15.05 64.77 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.385 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -78.57 10.41 3.23 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.302 0.573 . . . . 0.0 111.235 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.563 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 5.2 p30 . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.787 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' THR . 31.7 p . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.23 10.27 0.33 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.74 2.293 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -138.9 10.86 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.639 0.256 . . . . 0.0 111.266 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 8' ' ' THR . 15.0 t -74.16 -18.11 60.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.249 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -152.86 156.0 32.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.536 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 -31.61 83.67 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.644 2.229 . . . . 0.0 112.855 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.87 -50.05 67.22 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.094 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 18' ' ' ASN . 95.9 mt -73.72 -27.74 61.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.647 -0.325 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -48.36 82.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.234 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.32 -29.55 47.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 1.2 t-20 -54.8 -45.19 74.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.98 -43.1 77.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.692 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.0 mtt -70.1 -47.46 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.628 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.7 m-80 -58.72 -48.27 81.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 30.3 t -63.43 -35.38 80.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE2' HD22 ' A' ' 27' ' ' LEU . 85.6 t80 -62.96 -49.87 73.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.94 -34.07 76.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.8 mt-30 -55.59 -50.34 70.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.053 0.454 . . . . 0.0 110.574 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.85 -38.63 35.77 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.424 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 33' ' ' PHE . 26.5 tp -64.23 -31.74 73.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.712 0.292 . . . . 0.0 111.452 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 t -71.23 1.72 5.66 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -118.57 7.95 11.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.468 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -91.9 134.47 28.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.56 -17.24 26.72 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.008 2.472 . . . . 0.0 112.49 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.76 -16.46 74.35 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.079 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 27' ' ' LEU . 42.6 m-85 -115.57 174.36 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.629 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 p -129.5 163.2 26.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.218 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -65.3 -48.78 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.332 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -70.76 -47.24 60.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.879 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.58 -42.13 82.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.358 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.42 -44.11 92.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.182 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.29 -41.26 41.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.441 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.4 ptm -72.46 -25.84 61.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -64.17 -26.11 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.246 175.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -63.88 -41.88 97.64 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.136 0.493 . . . . 0.0 109.932 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -71.95 -38.69 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.261 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.55 30.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.315 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.8 pt20 -73.54 -23.75 60.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.547 -178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -68.14 -38.81 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 73.7 mmm -64.43 -50.58 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.89 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 46' ' ' GLN . 10.0 m -64.45 -35.01 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.519 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -71.87 -35.25 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.664 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.3 m -63.94 -42.52 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.765 0.317 . . . . 0.0 110.635 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 48' ' ' MET . 77.7 mt -56.15 -55.67 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.441 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.88 -30.68 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.658 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -67.81 -42.63 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.265 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 73.8 mt -69.65 -30.08 67.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.758 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.13 72.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.805 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 26.9 mt-30 -83.69 -7.53 59.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.288 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.77 31.67 64.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.606 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 17.7 mmm180 -99.28 -6.68 27.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -79.01 135.3 36.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.34 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -135.19 151.51 75.27 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.1 -54.92 4.67 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.817 2.345 . . . . 0.0 113.218 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.04 -27.68 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -68.86 -41.62 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.255 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.0 -40.47 94.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.486 0.66 . . . . 0.0 109.547 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 30.7 tt0 -58.47 -44.25 89.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.039 176.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.59 81.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.717 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.18 -25.65 67.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -61.65 -40.48 95.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.4 mmm -73.74 -38.29 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.426 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.34 79.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.195 0.521 . . . . 0.0 110.535 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' N ' ' HE2' ' A' ' 48' ' ' MET . 87.8 t80 -68.45 -43.44 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.32 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.23 -39.14 85.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.771 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 p -80.57 -42.48 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.727 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 13.2 p -60.39 -34.56 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.23 0.538 . . . . 0.0 111.276 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 26.7 mmt -80.57 -13.39 59.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.885 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.62 -41.63 16.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.882 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 9.8 pt-20 -64.41 -42.99 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 76' ' ' SER . 15.7 mt -64.52 -31.32 53.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.543 0.687 . . . . 0.0 110.567 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.605 ' O ' ' HD3' ' A' ' 93' ' ' LYS . . . -79.31 -52.83 7.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.375 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.18 14.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.117 -0.947 . . . . 0.0 113.139 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.402 ' CB ' HD21 ' A' ' 133' ' ' ASN . 44.3 t -78.54 -67.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -174.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.22 152.43 44.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 112.033 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.05 -170.81 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.333 -174.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.63 -61.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.942 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.87 -48.26 1.39 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.088 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.49 174.22 20.14 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.737 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 39.9 t -91.87 178.83 5.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 90' ' ' LEU . 5.4 tt -60.52 -43.9 96.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 t -65.11 -19.63 66.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.483 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -83.06 -35.91 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.605 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 72.2 mttt -59.83 -48.73 80.5 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.786 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.4 m -55.44 -51.91 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.364 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -66.28 -34.68 78.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.544 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -60.41 -48.17 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.918 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.8 mt -67.67 -45.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.14 73.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.981 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.1 t -64.75 -37.09 86.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.95 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.33 71.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.577 ' SD ' HG13 ' A' ' 120' ' ' ILE . 42.7 mtt -69.34 -46.85 66.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.511 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 p -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 109.879 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.616 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -62.25 -45.35 93.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.873 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.25 76.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.675 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.05 -41.98 97.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.319 0.581 . . . . 0.0 110.501 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.85 -20.14 65.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.1 mm-40 -91.96 -25.94 18.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.718 0.294 . . . . 0.0 111.403 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 p -90.59 -64.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.371 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -90.74 -46.82 8.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.161 0.505 . . . . 0.0 110.621 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.39 3.28 10.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -154.78 149.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.65 123.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.644 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 1.9 m-20 -60.8 -28.72 68.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.593 -172.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 5.7 tt0 105.0 -67.95 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.24 0 C-N-CA 124.804 1.242 . . . . 0.0 113.806 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -55.66 -31.23 78.75 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 122.101 1.867 . . . . 0.0 113.466 -171.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.3 t80 -57.21 -44.67 83.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -69.74 -33.24 55.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.757 -175.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -62.95 -48.65 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.505 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.89 -31.76 72.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.947 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.7 mm -60.28 -35.66 63.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 58.1 p -61.46 -35.46 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.149 0.499 . . . . 0.0 110.858 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -72.25 -32.59 66.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.578 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 126' ' ' MET . 90.3 mt -63.31 -50.74 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.53 -32.46 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.929 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.8 t -86.8 -4.53 59.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.895 -174.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 26.8 ptm -102.16 -40.76 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.248 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -68.12 -17.08 64.27 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.689 0.28 . . . . 0.0 111.362 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.74 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.76 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.8 mp0 -83.38 -26.54 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.266 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.08 -69.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.955 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 51.06 43.37 49.84 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.39 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.5 13.02 9.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.681 0.753 . . . . 0.0 110.574 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.402 HD21 ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.147 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.689 176.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.554 ' O ' HG22 ' B' ' 11' ' ' THR . 4.7 p . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 42.2 Cg_endo -69.8 6.43 1.33 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.351 2.034 . . . . 0.0 113.357 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 16.1 p90 -134.96 15.24 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 111.405 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 8' ' ' THR . 11.3 t -81.6 -8.96 59.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.461 HD22 HG23 ' B' ' 11' ' ' THR . 10.9 p30 -155.93 147.48 16.94 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.959 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.465 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 55.8 Cg_exo -53.29 -35.49 74.59 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.264 2.643 . . . . 0.0 113.008 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.7 87.15 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.995 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -83.6 -35.3 24.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.646 -0.326 . . . . 0.0 110.451 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.23 80.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.343 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 6.4 pt-20 -73.19 -36.08 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.864 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -37.05 76.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.9 -45.3 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.221 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.0 mtt -76.5 -37.02 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.456 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -58.11 -57.04 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.432 177.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.45 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 8.0 t -69.93 -23.74 63.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.65 -50.16 74.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 93.4 mmm -66.23 -33.98 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 96.0 mt-30 -59.29 -48.58 81.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 110.031 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.83 72.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.367 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' B' ' 33' ' ' PHE . 19.9 tp -64.77 -34.42 78.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.638 0.256 . . . . 0.0 111.051 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -67.24 -9.22 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -112.05 17.3 19.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -103.97 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.326 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 -19.48 23.39 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 122.888 2.392 . . . . 0.0 112.869 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.42 -16.2 80.76 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.28 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' B' ' 27' ' ' LEU . 48.2 m-85 -118.95 151.12 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.561 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 p -119.44 169.89 9.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.43 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.27 70.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -65.16 -45.47 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.419 . . . . 0.0 110.647 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -66.71 -47.35 72.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.574 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.49 -38.04 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.925 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.88 -43.27 77.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.894 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -82.11 -41.03 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.126 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.4 ptm -77.09 -23.25 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -64.34 -29.53 70.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.549 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -66.15 -39.92 90.17 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 110.172 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.39 -38.88 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.924 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.25 -51.1 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.3 pt20 -75.66 -23.12 56.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.234 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -66.09 -40.68 90.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.91 -45.34 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.549 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -66.67 -39.84 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.017 -178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -66.95 -33.33 75.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.519 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 69.4 m -63.03 -52.07 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.13 -52.05 55.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.917 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -175.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -73.36 -28.97 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 60' ' ' ARG . 67.0 mt -76.43 -33.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.221 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.34 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.35 -15.49 63.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' B' ' 60' ' ' ARG . 49.5 mt-30 -105.13 -6.96 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.96 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 29.56 63.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.323 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.501 ' HG2' ' HB2' ' B' ' 58' ' ' GLN . 11.1 mmm180 -91.28 -8.79 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -79.98 143.78 33.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.28 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 17.6 m -146.25 151.58 44.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.34 -53.9 6.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.104 2.536 . . . . 0.0 112.853 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.85 -32.5 73.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 111.193 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 7.1 ttpt -71.82 -32.04 67.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.535 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 62' ' ' SER . 95.8 mt -67.35 -33.6 75.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.281 0.562 . . . . 0.0 109.733 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.16 -35.49 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.564 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -67.38 -18.92 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.2 9.26 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.74 -48.23 4.36 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 94.4 mmm -66.56 -43.3 85.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 174.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.3 -31.82 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.97 -43.29 62.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.115 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.72 -37.77 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.593 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -71.67 -42.52 67.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.043 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.426 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 7.8 m -71.16 -4.67 26.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.105 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 24.9 mmt -107.31 -6.52 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.009 0.433 . . . . 0.0 110.124 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.26 13.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.743 -175.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -74.72 -35.4 62.67 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.798 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mt -58.48 -45.71 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.31 -43.94 63.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.435 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.56 19.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -78.92 -60.23 2.46 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -170.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 155.9 38.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.577 0.703 . . . . 0.0 112.278 -170.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.9 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.183 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.58 -103.06 0.17 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.09 23.64 3.68 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.159 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.36 157.12 27.29 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.391 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 47.4 t -77.82 163.97 25.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.426 ' HA ' ' CE ' ' B' ' 93' ' ' LYS . 37.2 tp -59.77 -40.99 90.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.598 0.237 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -64.13 -39.65 94.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 m -64.17 -44.3 92.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.67 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 89' ' ' SER . 52.8 mtmt -61.67 -47.82 83.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.54 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.6 m -58.03 -46.15 85.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.146 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -68.54 -31.47 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.3 m -63.19 -46.13 88.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.686 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.22 -46.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.62 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.39 89.23 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.36 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -67.18 -42.23 84.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.472 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.495 ' SD ' HG13 ' B' ' 120' ' ' ILE . 51.2 mtt -69.47 -40.59 77.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -60.18 -37.42 80.14 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.7 t30 -62.48 -43.6 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.877 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.98 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.915 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.4 m-85 -66.34 -34.21 77.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 111.13 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.66 -17.53 59.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.6 mm-40 -86.37 -41.83 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.502 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.5 p -77.34 -73.54 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.845 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.41 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.6 t -91.9 -40.08 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.67 11.08 9.66 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.8 p -155.39 151.74 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.31 127.24 56.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.626 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 17.2 m120 -64.65 -41.08 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.791 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 10.5 tt0 102.88 -68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 125.399 1.48 . . . . 0.0 112.838 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.626 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 9.4 Cg_endo -50.98 -28.56 24.55 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.632 2.222 . . . . 0.0 113.427 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 53.1 t80 -57.39 -48.15 79.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.994 0.426 . . . . 0.0 110.192 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.84 -31.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.093 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.38 -33.22 75.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.595 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.562 ' HA ' HE21 ' B' ' 122' ' ' GLN . 32.9 mm-40 -77.83 -23.44 48.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' B' ' 101' ' ' MET . 29.8 mm -71.66 -40.59 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 -175.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 13.3 p -61.36 -33.54 73.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 0.0 111.368 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' B' ' 119' ' ' GLU . 44.2 mt-30 -69.52 -37.18 77.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.11 -39.49 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 26.3 t -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 -178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.406 ' HA ' HE22 ' B' ' 129' ' ' GLN . 26.5 ptm -77.01 -36.97 55.93 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.706 -176.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -69.94 -15.62 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.371 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.18 96.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.072 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.406 HE22 ' HA ' ' B' ' 126' ' ' MET . 1.4 mp0 -78.72 -24.41 44.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.549 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.305 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.74 36.37 49.1 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.17 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -84.58 9.85 12.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.29 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.161 174.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 40.7 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.23 4.6 1.88 Allowed 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.686 2.258 . . . . 0.0 112.932 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -138.63 18.05 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.258 . . . . 0.0 111.611 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -84.11 -14.48 50.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 178.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.42 147.35 33.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.88 -34.72 92.5 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.102 2.534 . . . . 0.0 112.889 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.4 30.83 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.779 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.65 -30.37 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.41 -0.465 . . . . 0.0 110.741 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.0 -39.64 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.696 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -57.45 -37.5 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.78 -52.78 62.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.439 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 22.5 ptp -78.34 -27.4 47.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.422 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -67.43 -41.13 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.987 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 p -73.69 -34.69 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.283 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.33 -52.65 64.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.7 mmm -59.92 -40.75 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.605 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 -38.01 89.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.077 0.465 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.19 56.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.02 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.86 -29.55 68.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -68.22 -2.29 7.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 t -115.44 15.53 16.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 110.209 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -102.87 134.54 19.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.81 -25.79 60.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.084 2.523 . . . . 0.0 113.159 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' A' ' 93' ' ' LYS . . . -74.5 -4.05 68.52 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.665 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 39.5 m-85 -124.74 155.44 39.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.578 0.689 . . . . 0.0 112.223 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.4 p -118.87 155.94 30.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.535 -177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.61 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.028 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -65.37 -37.7 87.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.469 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 14.1 mm100 -85.05 -32.09 23.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.9 mt -61.33 -36.59 80.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.509 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.66 -47.16 83.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.037 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' HG3' ' B' ' 65' ' ' LYS . 1.5 m-20 -71.41 -41.62 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.273 -176.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -75.98 -28.05 57.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 0.0 110.771 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -69.36 -26.97 64.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.2 m -65.9 -39.95 91.08 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 176.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.55 ' O ' ' HG2' ' A' ' 48' ' ' MET . 53.4 mt -66.95 -39.45 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.368 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -46.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -75.17 -14.98 60.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.481 -178.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 46.0 m -81.68 -35.34 29.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.445 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 78.0 mmm -70.07 -48.98 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.793 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 46' ' ' GLN . 32.1 m -64.56 -32.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 47' ' ' SER . 2.9 pt20 -69.27 -34.48 74.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -70.98 -39.93 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.095 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 81.0 mt -61.68 -48.68 87.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.68 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.07 -37.21 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.028 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -60.28 -43.38 96.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 0.0 109.673 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -38.27 90.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.79 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.72 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 24.5 mt-30 -90.48 -9.41 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.3 32.71 72.32 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.265 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 54.5 mtp180 -111.05 23.48 14.07 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -177.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.2 p -77.7 136.51 38.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.747 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 m -143.64 147.6 39.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.25 -48.83 18.71 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.716 2.277 . . . . 0.0 112.694 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.22 -45.3 77.22 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -56.67 -36.25 69.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.177 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.12 -40.2 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.828 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.636 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.5 tt0 -65.7 -37.48 86.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.787 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.79 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.074 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.36 -29.79 22.68 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.98 -53.76 53.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.455 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.7 mmm -70.88 -30.39 66.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.227 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.24 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' O ' ' HG2' ' A' ' 77' ' ' MET . 90.3 t80 -62.13 -49.51 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.481 177.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.79 75.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.667 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -75.61 -38.52 58.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.8 m -61.59 -38.79 88.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.889 0.376 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -66.15 -34.37 77.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.311 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.99 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.215 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.54 -58.1 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.07 -34.92 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.199 0.523 . . . . 0.0 111.136 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HZ ' ' A' ' 33' ' ' PHE . . . -72.75 -38.14 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.442 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.83 -29.32 44.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.25 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -74.98 -55.86 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.669 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 32.9 mt-10 -120.07 134.97 55.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.274 0.559 . . . . 0.0 111.003 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.88 -54.51 3.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.49 -174.345 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.521 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . 80.79 -106.59 2.56 Favored Glycine 0 C--N 1.299 -1.505 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.915 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.47 2.17 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.95 129.35 2.23 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.2 m -65.88 154.96 37.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 0.151 . . . . 0.0 110.73 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.14 -48.22 53.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.858 0.463 . . . . 0.0 111.098 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 m -60.42 -39.92 89.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -66.67 -39.74 88.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 89' ' ' SER . 26.6 mtpp -65.02 -40.16 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 m -60.45 -46.14 91.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -65.18 -35.77 82.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.473 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.2 m -60.25 -46.86 88.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.816 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.11 -44.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.892 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.53 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.554 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -67.97 -33.11 74.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.95 58.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.86 -48.4 76.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.687 0.28 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.458 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 p -64.17 -33.05 74.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.503 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.3 t30 -65.17 -40.26 94.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.44 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.352 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 69.2 m-85 -67.19 -34.75 78.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 102' ' ' SER . 85.8 mt -71.83 -19.21 62.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.1 mm-40 -87.61 -36.85 17.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -86.58 -76.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.619 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.4 p -79.97 -43.42 22.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.59 2.69 24.15 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.5 p -155.21 150.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.577 -0.311 . . . . 0.0 110.3 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 114' ' ' GLN . 19.1 t -88.1 131.92 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 18.8 m120 -69.05 -16.84 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 57.7 tt0 102.17 -79.61 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 125.058 1.343 . . . . 0.0 113.521 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD2' ' O ' ' A' ' 113' ' ' ASN . 42.3 Cg_endo -64.39 -12.64 34.1 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 121.956 1.771 . . . . 0.0 113.572 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.2 t80 -62.04 -48.97 77.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.817 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.7 mm -66.97 -30.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.201 0.524 . . . . 0.0 110.586 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.7 -33.96 76.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.375 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.29 -33.47 20.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.658 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.6 mm -60.53 -38.02 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.1 p -66.29 -28.27 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 111.033 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -81.07 -30.48 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' A' ' 126' ' ' MET . 92.2 mt -62.26 -50.54 71.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.69 -29.74 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.409 0.623 . . . . 0.0 109.897 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 t -84.76 0.23 51.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.932 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 27.3 ptm -110.65 -40.68 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.396 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -65.62 -25.49 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 111.125 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.99 89.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.694 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.46 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.2 mp0 -82.0 -23.41 36.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.352 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.37 43.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.14 25.46 66.39 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.642 -0.708 . . . . 0.0 113.826 173.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -82.46 10.97 6.14 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.862 0.839 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.564 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.308 -1.231 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.051 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.25 5.15 1.27 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.612 2.208 . . . . 0.0 112.946 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.41 19.56 3.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.651 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.5 t -76.14 -21.36 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.422 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 33.1 p30 -146.28 156.89 49.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.823 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 12.4 Cg_endo -56.85 -32.05 90.8 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.698 2.265 . . . . 0.0 112.85 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.06 -56.64 23.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.92 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.12 -29.39 66.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.61 -0.347 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.81 80.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 7.7 pt-20 -73.74 -26.71 60.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 111.204 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.87 -25.63 67.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -58.48 -59.29 5.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.058 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -77.19 -19.98 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.062 -176.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -41.24 80.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.762 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 p -79.07 -30.97 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.469 ' CE2' HD22 ' B' ' 27' ' ' LEU . 83.7 t80 -57.8 -55.31 36.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.41 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.89 -36.93 77.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.691 -0.232 . . . . 0.0 111.515 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.47 -43.91 93.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.82 -36.9 46.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.269 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.469 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.8 tp -65.35 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -66.15 -6.3 12.91 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.592 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -112.25 9.53 20.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.008 0.433 . . . . 0.0 110.137 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -96.17 142.65 24.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.043 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.33 -20.54 16.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.034 2.489 . . . . 0.0 112.804 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.51 99.81 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.12 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.58 156.52 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.842 0.353 . . . . 0.0 111.191 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.591 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 69.8 p -112.51 167.06 10.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.61 78.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.451 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 21.1 p -64.28 -39.86 94.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.591 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 11.7 mm100 -82.73 -36.77 25.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 110.512 -175.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.441 HD23 ' SD ' ' B' ' 41' ' ' MET . 84.9 mt -62.26 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 177.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.6 -27.61 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.067 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.78 -46.77 11.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.267 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.441 ' SD ' HD23 ' B' ' 38' ' ' LEU . 9.9 ptm -71.3 -20.07 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -174.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -63.56 -27.14 69.05 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 26.4 m -65.28 -47.54 76.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.965 0.412 . . . . 0.0 110.394 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.08 -34.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.442 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.06 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.326 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.7 OUTLIER -80.3 -20.33 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.501 -178.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 50' ' ' GLN . 66.0 m -72.47 -41.52 65.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.917 0.389 . . . . 0.0 110.283 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.497 ' O ' HG13 ' B' ' 52' ' ' ILE . 87.9 mmm -62.53 -44.22 96.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -69.06 -34.45 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 47' ' ' SER . 2.8 pt20 -76.81 -31.35 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.817 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 66.6 m -68.0 -38.77 83.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 48' ' ' MET . 86.2 mt -62.21 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.966 0.412 . . . . 0.0 110.097 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.99 -37.06 85.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.3 t -62.68 -43.87 97.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.999 0.428 . . . . 0.0 109.894 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 51' ' ' SER . 90.2 mt -61.87 -37.56 85.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.4 -42.4 98.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.82 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.263 0.554 . . . . 0.0 110.782 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -82.0 -9.02 59.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.543 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.9 30.66 67.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.137 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -108.39 19.71 19.5 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.989 0.423 . . . . 0.0 110.693 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -83.22 124.15 30.26 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -146.32 149.76 38.92 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.98 -33.71 53.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.113 2.542 . . . . 0.0 112.472 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.28 -61.74 2.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG3' ' OD2' ' A' ' 40' ' ' ASP . 26.2 mtmm -65.17 -30.92 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.929 -176.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.53 -37.94 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.911 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.7 tt0 -70.46 -35.99 73.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.178 0.513 . . . . 0.0 109.947 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.48 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -63.91 -25.52 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.921 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.46 5.12 51.51 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.812 0.815 . . . . 0.0 109.594 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.68 -53.27 4.1 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.46 -37.41 87.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.581 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.99 -39.03 71.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.358 . . . . 0.0 111.402 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' B' ' 77' ' ' MET . 86.2 t80 -68.38 -45.8 71.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.052 0.453 . . . . 0.0 109.98 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -37.97 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.421 -178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.3 p -79.47 -33.45 42.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.4 t -63.94 -39.59 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.427 . . . . 0.0 110.12 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 28.8 mmt -68.47 -29.02 67.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.78 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.682 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 83' ' ' SER . 2.4 tm-20 -57.93 -59.56 5.06 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.01 -45.86 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.12 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.808 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.85 -4.62 49.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.233 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -76.14 -53.86 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -176.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -119.23 -166.49 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -178.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.02 -163.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.452 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.31 -140.55 2.9 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -28.59 13.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.339 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.06 -149.95 19.51 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.139 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.9 m -96.14 173.57 7.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.11 -47.64 85.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -63.29 -27.99 69.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.787 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.5 m -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.019 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 52.0 mtpt -63.39 -37.96 89.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . 0.459 HG23 ' HB ' ' B' ' 124' ' ' VAL . 25.5 m -56.75 -49.09 76.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -75.15 -27.95 59.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -59.24 -42.49 91.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 110.518 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' B' ' 101' ' ' MET . 67.1 mt -67.17 -47.62 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.173 177.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.77 85.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 8.6 t -65.46 -38.22 89.17 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 110.672 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.08 -32.78 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.705 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 22.2 mmt -63.02 -47.76 81.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 2.5 p -61.39 -30.52 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 4.0 t30 -68.94 -43.07 75.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 176.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.5 84.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.623 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.519 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.4 m-85 -66.6 -33.7 76.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.411 . . . . 0.0 111.118 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 102' ' ' SER . 97.6 mt -75.13 -21.25 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 80.6 mm-40 -82.48 -46.22 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.817 0.341 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -71.16 -75.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.864 -178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.7 t -92.69 -38.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.382 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.91 8.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.923 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.9 p -156.79 151.73 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.432 HG12 ' H ' ' B' ' 114' ' ' GLN . 35.1 t -105.06 137.41 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.357 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 18.9 m120 -69.1 -33.62 73.8 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 119.547 -0.263 . . . . 0.0 111.574 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 43.7 tt0 103.42 -69.72 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 125.178 1.391 . . . . 0.0 113.204 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 25.8 Cg_exo -62.02 -28.39 80.41 Favored 'Trans proline' 0 C--N 1.364 1.388 0 CA-C-N 121.398 1.535 . . . . 0.0 112.56 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.631 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.4 t80 -54.2 -50.29 67.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.61 -40.78 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.91 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -65.93 -44.2 85.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.749 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.42 -35.76 80.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.579 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.631 HG12 ' O ' ' B' ' 116' ' ' PHE . 31.9 mm -62.02 -39.1 82.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 111.308 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 44.5 p -63.94 -32.97 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 110.524 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.78 -34.38 66.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.17 -58.8 6.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.459 ' HB ' HG23 ' B' ' 94' ' ' THR . 17.4 t -58.34 -34.33 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.199 0.523 . . . . 0.0 110.41 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -65.11 -50.28 66.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.98 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 28.3 ptm -69.27 -34.31 74.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.461 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.92 -24.05 66.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.637 0.256 . . . . 0.0 111.404 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.8 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.302 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.437 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.36 64.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.96 25.43 69.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.436 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -103.88 18.02 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.449 0.642 . . . . 0.0 110.526 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.636 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.315 -0.907 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 p . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.79 -1.96 6.84 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.492 2.128 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -133.71 23.17 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.747 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.6 t -68.36 -24.93 64.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.548 -177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 5.8 p30 -150.76 157.01 36.21 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.623 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.5 Cg_endo -50.34 -37.78 51.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.279 2.653 . . . . 0.0 113.146 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.77 12.34 3.8 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 113.811 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.7 mt -128.75 -38.82 1.66 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.95 83.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.9 pt-20 -73.04 -36.87 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.856 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -68.51 -26.32 65.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.5 -45.28 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.022 0.439 . . . . 0.0 109.919 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 mtt -64.25 -46.08 85.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.608 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.4 m-80 -58.07 -49.37 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.756 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -62.51 -36.83 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.148 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.82 -52.64 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.55 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.457 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 22.3 mt-30 -71.38 -15.72 62.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.68 -41.51 2.69 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.096 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -65.06 -24.57 67.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.77 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 p -58.52 -23.46 58.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.428 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -114.43 26.74 9.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -96.87 139.34 21.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.517 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 -18.65 35.2 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.103 2.535 . . . . 0.0 113.155 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.98 -8.23 87.68 Favored Glycine 0 C--N 1.319 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.187 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -125.21 141.16 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 111.488 -175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.9 p -104.63 165.54 10.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.748 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.24 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -84.77 -35.33 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -68.05 -50.48 54.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.116 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.67 -38.65 78.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.122 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.98 -39.52 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.407 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -77.66 -41.51 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.354 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -78.9 -22.85 45.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -60.82 -15.85 34.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.14 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -63.03 -51.49 66.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 0.0 110.97 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.57 -23.82 28.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.936 -174.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -42.38 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.71 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 49' ' ' VAL . 11.8 mt-30 -89.16 -29.33 19.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.554 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -61.2 -40.95 95.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.96 -42.25 49.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.8 m -68.79 -36.55 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.391 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.51 -26.02 62.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 39.0 t -69.13 -46.78 66.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.674 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.63 -44.7 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.81 -35.24 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.186 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.3 m -66.96 -43.15 83.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.081 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.26 -35.24 80.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.733 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.28 94.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.745 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.37 65.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.688 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.03 -16.38 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.707 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 29.55 61.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.322 -0.466 . . . . 0.0 112.374 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -105.87 13.01 30.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 0.0 110.314 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.0 p -78.86 116.37 19.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 6.5 m -138.29 155.77 73.94 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 -176.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.82 -19.7 26.02 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.29 2.66 . . . . 0.0 113.535 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' A' ' 62' ' ' SER . 1.9 p30 -90.01 -46.66 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -46.39 80.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.03 -25.72 55.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.378 -176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.49 ' OE1' ' HB3' ' B' ' 133' ' ' ASN . 7.4 tt0 -66.55 -46.41 76.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.591 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.27 1.83 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.297 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 28.9 mt -112.89 0.64 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 171.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -86.81 -52.6 5.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.439 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 43.5 mtp -83.35 -22.09 32.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.337 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.83 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 0.0 110.421 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG2' ' A' ' 77' ' ' MET . 85.6 t80 -70.82 -45.55 64.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.517 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.84 85.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.458 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.413 ' HA ' HD13 ' A' ' 123' ' ' LEU . 9.2 p -73.09 -40.22 65.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.026 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.712 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 30.8 mmt -67.23 -40.13 86.31 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.036 -0.415 . . . . 0.0 110.325 176.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.2 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.104 0.478 . . . . 0.0 109.802 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.519 ' OE2' ' HB2' ' B' ' 71' ' ' MET . 34.2 tt0 -52.82 -59.8 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.862 176.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 76' ' ' SER . 23.1 mt -58.7 -45.37 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.989 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.06 92.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.372 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.35 -17.56 56.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.231 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -65.73 -64.48 0.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -132.9 133.29 43.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.656 0.741 . . . . 0.0 110.609 -174.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -86.13 161.26 18.96 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.72 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.49 -28.75 0.12 Allowed Glycine 0 N--CA 1.437 -1.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.741 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.84 -59.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.417 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.13 22.35 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.401 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.403 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 16.4 m -53.68 151.37 6.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -170.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.16 -50.92 47.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -61.84 -34.79 76.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.967 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 6.4 m -68.46 -35.28 77.35 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -60.31 -42.22 95.09 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.026 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -53.08 -51.21 62.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.974 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -70.19 -32.94 71.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -62.97 -50.19 71.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 101' ' ' MET . 56.5 mt -64.85 -41.78 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.414 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.71 78.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.301 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -64.36 -42.06 96.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.385 . . . . 0.0 110.219 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.652 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -66.11 -30.18 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.7 mmt -71.01 -46.97 61.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.979 0.419 . . . . 0.0 110.173 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 p -64.14 -33.49 75.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.901 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.652 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.2 p-10 -81.31 -25.02 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.343 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.13 72.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.815 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.1 m-85 -61.8 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.54 -19.93 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 68.1 mm-40 -84.41 -36.42 22.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.931 0.396 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 -75.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.141 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -88.75 -37.51 15.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -175.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.22 15.89 16.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.951 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.61 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -152.86 149.9 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.91 131.58 52.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.57 113.52 23.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.6 tp60 -65.54 -52.19 45.94 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -56.09 -33.62 90.45 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.073 1.849 . . . . 0.0 112.015 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.571 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.1 t80 -60.21 -52.86 63.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.192 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.1 mm -61.67 -33.9 59.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.834 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.25 -46.86 81.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 43.4 mm-40 -64.26 -31.87 73.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.4 mm -59.68 -36.05 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.226 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -66.39 -23.68 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 111.199 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.07 -39.39 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.431 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' SER . 91.5 mt -56.92 -53.31 59.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.329 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.05 -28.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 111.034 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -96.98 3.5 51.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.768 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -108.11 -41.06 5.02 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.337 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -65.01 -21.6 66.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 111.654 -176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.084 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.34 -22.36 41.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.666 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.46 -46.37 63.03 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.25 0.548 . . . . 0.0 110.624 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.83 7.23 74.82 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.845 170.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -80.97 -0.72 40.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 122.082 0.944 . . . . 0.0 110.464 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.255 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.574 173.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.353 0.121 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.72 -1.3 7.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.928 2.418 . . . . 0.0 112.054 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -130.85 21.73 4.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.327 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.1 t -66.81 -16.81 64.53 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.694 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -137.03 151.66 72.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.95 -35.25 70.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.223 2.615 . . . . 0.0 113.203 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.84 70.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.863 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.2 -30.69 66.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 0.0 110.703 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.17 82.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.28 -30.45 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.39 -39.52 83.63 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.785 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.0 -48.05 76.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.724 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.7 mtt -70.68 -44.08 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 30.4 m-80 -60.12 -47.13 87.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.818 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 107' ' ' GLN . 37.6 m -64.55 -34.03 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CE2' HD22 ' B' ' 27' ' ' LEU . 75.8 t80 -61.37 -51.04 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.747 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.25 -34.02 76.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.8 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 25.2 mt-30 -67.39 -25.62 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 111.202 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.21 -25.6 13.9 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.1 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.474 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -78.43 -28.05 46.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.861 0.363 . . . . 0.0 111.29 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -60.58 -27.12 67.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.555 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -99.14 9.06 44.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.778 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.9 mmt -85.69 132.17 45.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.246 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.96 -17.41 32.15 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.868 2.379 . . . . 0.0 112.578 -177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . 0.577 ' O ' ' HG2' ' B' ' 93' ' ' LYS . . . -70.69 -12.79 70.95 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.762 -176.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.17 158.72 27.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.641 0.721 . . . . 0.0 111.516 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.583 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 22.7 p -111.23 160.36 17.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.021 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.35 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.722 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.1 m -66.76 -53.53 32.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.587 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.583 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 6.9 pt20 -75.53 -18.18 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.592 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 34' ' ' THR . 40.9 mt -63.73 -30.47 71.57 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.633 174.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.51 -44.49 82.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.985 0.421 . . . . 0.0 110.071 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' HA ' ' B' ' 37' ' ' GLN . 38.2 m-20 -57.83 -47.46 82.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.671 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.487 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 4.6 ptm -79.48 -25.82 41.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.335 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -66.4 -38.87 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.522 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.6 m -63.89 -49.38 72.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.301 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.434 HD12 HD11 ' B' ' 80' ' ' ILE . 30.9 mt -65.26 -34.92 73.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -49.74 -55.34 14.32 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.553 175.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.512 ' HA ' HG22 ' B' ' 49' ' ' VAL . 14.4 mt-30 -69.71 -31.89 70.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.524 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.56 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 46.1 m -61.19 -41.63 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 0.0 110.442 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 91.6 mmm -71.0 -45.57 63.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.952 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -63.72 -37.09 78.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.9 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.43 -27.48 56.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.686 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -68.67 -37.54 79.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.33 -44.26 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.323 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.518 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 57.0 m -65.04 -39.64 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.66 -42.12 96.4 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.604 0.24 . . . . 0.0 110.611 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.97 95.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.591 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.64 -28.59 64.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.81 -8.78 58.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 28.11 60.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.915 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -133.37 65.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.44 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.02 121.87 46.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.086 174.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.461 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 3.7 m -137.76 160.38 65.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.877 -175.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 18.6 Cg_endo -53.92 -44.16 51.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.248 2.632 . . . . 0.0 112.476 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -80.08 -27.33 39.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.01 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 1.5 tppt? -68.11 -46.16 71.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.337 0.589 . . . . 0.0 110.068 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 64.0 mt -72.85 -28.2 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.02 -45.29 89.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.532 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.17 79.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 69' ' ' LEU . 33.9 mt -86.59 7.91 24.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.217 0.532 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -94.69 -54.64 3.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.247 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.519 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 22.4 mtp -76.8 -25.93 53.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.492 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.26 70.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.336 0.588 . . . . 0.0 110.515 173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.596 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.7 t80 -72.64 -43.82 62.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.573 174.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.88 -38.84 92.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.437 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -70.86 -42.24 70.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -56.88 -40.82 76.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.571 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -66.19 -35.98 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.398 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.22 81.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.209 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.439 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 43.2 mt-10 -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.762 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.434 HD11 HD12 ' B' ' 44' ' ' ILE . 41.6 mt -63.48 -46.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.079 0.466 . . . . 0.0 111.004 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.94 92.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.452 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.76 -13.57 59.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.984 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 10.7 t -71.79 -63.28 1.16 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.947 0.403 . . . . 0.0 109.994 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.66 127.09 36.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.567 . . . . 0.0 110.47 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 17.0 pt-20 -84.56 -36.86 21.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.814 0.816 . . . . 0.0 110.17 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.83 -113.65 6.07 Favored Glycine 0 C--N 1.299 -1.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 112.429 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.86 58.01 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -113.22 113.78 3.24 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.605 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 50.8 m -62.22 145.22 54.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.715 0.258 . . . . 0.0 111.54 -171.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.19 -51.21 8.35 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.51 0.724 . . . . 0.0 111.976 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -58.47 -39.7 80.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.983 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -67.3 -39.24 85.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' B' ' 89' ' ' SER . 21.1 mtpp -62.43 -39.54 93.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.127 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -59.25 -47.54 84.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -68.23 -33.08 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.6 m -59.82 -47.02 87.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.7 -45.48 81.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.83 89.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.773 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -75.86 -17.94 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.34 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -90.54 -31.27 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.61 -45.47 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.61 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -59.56 -34.79 73.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.222 0.534 . . . . 0.0 110.673 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.4 t30 -59.56 -53.82 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.378 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.67 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.844 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 23.0 m-85 -65.2 -38.16 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.214 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.49 -14.43 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 73.1 mm-40 -89.57 -31.64 17.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.0 p -92.66 -78.68 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.864 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.0 t -84.81 -30.48 24.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.98 10.9 35.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.59 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -151.31 151.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 131.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.855 0.359 . . . . 0.0 111.193 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -87.35 105.72 17.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.661 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -58.54 -50.19 89.36 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.585 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 9.9 Cg_endo -53.47 -39.03 83.59 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.263 1.975 . . . . 0.0 112.469 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.7 t80 -59.72 -51.2 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.322 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.86 -37.66 72.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.88 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.72 -45.49 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.769 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.24 -30.64 71.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.896 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -62.25 -41.1 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.045 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -66.11 -28.07 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -74.0 -34.14 64.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.093 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.04 -50.72 70.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 t -59.54 -39.82 80.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.307 0.575 . . . . 0.0 110.141 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 27.5 t -63.87 -48.73 75.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.31 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.544 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 23.6 ptm -66.39 -44.81 82.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.561 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' B' ' 126' ' ' MET . 25.6 m-85 -65.72 -25.34 67.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.55 73.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.737 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.544 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.4 mt-30 -84.94 -25.02 28.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.683 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.95 -60.11 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.612 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.36 74.26 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.852 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -81.2 12.81 3.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.742 0.782 . . . . 0.0 110.987 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.49 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.871 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.6 -11.46 23.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.624 2.216 . . . . 0.0 112.891 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 p90 -126.17 22.54 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -76.87 -14.84 59.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -146.33 148.14 33.54 Favored Pre-proline 0 C--O 1.234 0.282 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 11.5 Cg_endo -56.98 -33.92 96.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.88 2.387 . . . . 0.0 113.095 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.65 65.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.867 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.03 -33.4 70.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.651 -0.323 . . . . 0.0 110.808 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.94 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.863 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 15.3 pt-20 -75.37 -27.37 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.571 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 m-20 -67.47 -35.06 78.44 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -54.69 -35.14 63.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.492 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.44 -57.6 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.508 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 10.2 p30 -70.54 -38.61 74.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.097 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.8 m -63.12 -25.94 68.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 110.946 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 27' ' ' LEU . 70.7 t80 -78.83 -50.66 10.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.349 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.36 -37.41 87.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.08 -175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.9 mm-40 -57.18 -42.36 81.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.1 -37.8 24.19 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.278 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 23' ' ' PHE . 30.3 tp -68.49 -30.6 69.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.241 . . . . 0.0 111.411 -176.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -62.48 -23.32 66.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 p -104.81 15.18 28.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.343 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.9 mmt -96.63 148.41 34.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.6 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.85 160.3 43.64 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.328 2.019 . . . . 0.0 111.378 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.05 -41.87 2.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.418 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.7 m-85 -89.27 162.96 15.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -120.5 155.01 34.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.437 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -15.33 48.51 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -99.73 -27.26 13.74 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -76.24 -27.18 56.66 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.236 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 2.0 mm? -68.43 -36.37 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.092 178.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.16 -41.17 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 -175.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.542 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 17.0 t70 -70.16 -44.81 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.083 0.468 . . . . 0.0 110.002 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.2 ptm -74.38 -29.61 61.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.032 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -69.16 -25.08 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.472 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 m -74.98 -39.46 61.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 48' ' ' MET . 54.6 mt -62.98 -36.56 76.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.046 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -48.67 -57.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.277 175.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 13.5 mt-30 -70.08 -21.81 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.731 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -67.6 -35.92 79.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 82.4 mmm -74.91 -36.91 62.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.482 0.658 . . . . 0.0 109.339 175.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 41.9 t -62.77 -55.42 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.062 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.97 -20.24 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.162 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.555 ' HB2' ' OG ' ' B' ' 47' ' ' SER . 10.4 p -74.87 -38.1 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 48' ' ' MET . 80.0 mt -56.77 -47.73 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 172.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.19 -36.93 81.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.847 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 m -71.55 -29.18 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.341 . . . . 0.0 110.252 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.27 -42.04 76.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.25 68.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.992 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 49.9 mt-30 -80.5 -22.38 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.827 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.13 42.14 12.7 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.995 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HE ' HG23 ' B' ' 43' ' ' THR . 9.1 ptm180 -131.52 20.37 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.82 124.72 25.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.361 176.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 15.5 m -143.06 158.2 59.21 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 17.8 Cg_endo -54.29 -44.96 44.63 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.106 2.537 . . . . 0.0 112.131 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -71.91 -31.79 66.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.02 -174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -42.94 75.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 110.286 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 62' ' ' SER . 59.6 mt -68.26 -41.54 80.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' B' ' 133' ' ' ASN . 32.4 tt0 -55.37 -54.71 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.084 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.97 -32.79 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.526 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.25 -30.82 67.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.786 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.1 -48.01 83.64 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.64 -36.74 70.82 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.704 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -57.76 -39.47 77.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.143 0.496 . . . . 0.0 110.267 175.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 70.0 t80 -67.63 -50.7 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.18 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.03 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.507 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 t -68.06 -45.53 73.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 80' ' ' ILE . 11.4 p -69.14 -35.95 76.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.911 0.386 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.4 mmt -65.02 -37.78 88.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.63 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.35 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 73.3 tt0 -58.75 -55.55 33.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 177.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 76' ' ' SER . 29.6 mt -58.35 -38.13 67.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.645 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . . . -68.77 -47.84 65.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.415 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -26.95 65.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.953 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.421 ' HA ' ' ND2' ' A' ' 133' ' ' ASN . 8.2 t -55.09 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.953 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -140.94 146.45 37.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.684 0.754 . . . . 0.0 112.17 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -98.87 -166.09 1.32 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.162 172.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -49.32 0.44 Allowed Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.573 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.6 9.6 73.63 Favored Glycine 0 CA--C 1.504 -0.644 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 85' ' ' GLU . . . 170.39 -179.43 42.53 Favored Glycine 0 N--CA 1.436 -1.338 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 m -77.38 167.56 21.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 117.134 0.467 . . . . 0.0 110.243 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.25 -46.66 79.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.45 85.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -58.09 -50.11 74.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 85' ' ' GLU . 7.7 ptmm? -82.97 2.36 35.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -86.88 -51.7 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -63.14 -31.0 72.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.671 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 t -52.94 -48.71 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.742 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.72 -45.83 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.01 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.648 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -72.15 -33.42 67.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.15 -31.11 30.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.326 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.2 mmt -60.46 -47.66 85.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.178 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 p -63.35 -33.54 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.676 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.3 t30 -63.77 -44.5 93.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.569 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.82 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.799 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 54.8 m-85 -68.14 -37.36 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.05 0.452 . . . . 0.0 110.961 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.53 -19.92 62.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.3 mm-40 -88.18 -23.21 23.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.953 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -94.93 -72.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.729 0.3 . . . . 0.0 111.73 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.9 p -89.64 -43.16 10.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.51 22.62 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 13.4 p -129.63 146.88 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.402 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.53 127.6 74.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -74.27 114.82 13.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.264 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 9.8 tt0 -56.63 -53.7 61.68 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.769 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.69 -37.95 84.27 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.346 2.031 . . . . 0.0 112.833 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 120' ' ' ILE . 56.7 t80 -57.36 -52.83 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.0 mm -59.49 -39.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.007 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.27 -42.91 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.488 ' HA ' HE21 ' A' ' 122' ' ' GLN . 15.9 mm-40 -70.25 -29.62 66.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.091 -174.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 116' ' ' PHE . 51.6 mm -56.09 -34.57 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.612 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -60.79 -33.15 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.55 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 119' ' ' GLU . 47.4 mt-30 -70.0 -32.5 70.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.98 -54.19 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.73 -38.45 75.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.221 0.534 . . . . 0.0 110.13 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.0 t -63.67 -48.91 75.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.499 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.6 ptm -68.57 -38.84 81.06 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -66.82 -16.76 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.462 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.27 95.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.793 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -27.78 48.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -59.61 -62.44 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.333 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.28 4.33 50.07 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.747 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.73 5.19 22.19 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.675 0.75 . . . . 0.0 111.129 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 83' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.608 175.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.586 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.7 p . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.94 -15.62 50.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.7 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -122.02 25.65 8.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.586 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.0 t -75.38 -26.62 58.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -140.11 151.94 66.16 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.628 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 50.9 Cg_exo -55.11 -33.39 83.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.117 2.545 . . . . 0.0 113.138 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.74 -10.13 60.41 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.38 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -109.57 -33.63 6.73 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.91 0.386 . . . . 0.0 109.974 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.06 89.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.945 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.628 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -86.1 -16.63 37.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.203 -179.149 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . 0.457 ' HA ' ' ND2' ' B' ' 21' ' ' ASN . 1.1 t-20 -61.97 -35.11 77.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 176.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -56.32 -40.91 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 175.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -61.73 -53.75 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.846 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.6 p30 -72.22 -37.48 69.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -174.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.8 p -68.21 -40.02 82.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.12 -49.77 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.644 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mmm -61.4 -39.94 92.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 76.1 mt-30 -64.39 -46.74 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.284 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -63.86 -44.71 95.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.257 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' B' ' 30' ' ' MET . 30.5 tp -65.68 -28.85 69.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -65.29 -15.56 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -111.64 13.43 21.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.281 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 24.5 mmt -101.69 148.73 35.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.268 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.96 151.76 35.67 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.292 1.995 . . . . 0.0 111.231 174.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 -16.09 49.68 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.726 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' B' ' 93' ' ' LYS . 47.3 m-85 -122.76 130.52 53.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.962 0.41 . . . . 0.0 111.21 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.0 p -88.12 156.21 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -10.65 15.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -94.2 -27.16 16.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.31 -35.94 30.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.473 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.09 -36.37 77.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.489 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.89 -42.45 98.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.148 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' THR . 12.5 t70 -69.03 -44.7 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.034 -175.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.497 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 10.8 ptm -77.96 -25.58 48.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.277 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.5 t -65.35 -24.01 67.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 109.739 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.534 HG23 ' HE ' ' A' ' 60' ' ' ARG . 74.7 m -64.28 -43.01 96.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.43 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' B' ' 48' ' ' MET . 49.9 mt -69.47 -37.21 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.346 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.444 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -52.38 -59.15 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.905 0.383 . . . . 0.0 110.651 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -32.28 70.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.093 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.555 ' OG ' ' HB2' ' A' ' 51' ' ' SER . 8.0 t -65.26 -43.36 91.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.905 0.384 . . . . 0.0 110.027 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 75.8 mmm -72.65 -40.87 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.35 0.595 . . . . 0.0 109.59 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 45' ' ' ALA . 36.5 t -55.01 -46.52 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.808 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.85 -26.29 40.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.861 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 72.9 m -65.13 -42.98 93.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 173.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -57.36 -44.71 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.669 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.05 -32.91 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.3 m -69.63 -34.29 73.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.578 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.88 -38.22 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.226 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.2 91.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.412 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.45 83.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.14 -27.07 53.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.094 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.65 33.95 6.84 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.795 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 35.24 4.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.33 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -87.63 121.66 30.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.459 0.647 . . . . 0.0 111.064 175.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.4 m -128.39 150.36 74.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.78 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.76 -41.48 69.46 Favored 'Trans proline' 0 C--O 1.224 -0.216 0 C-N-CA 122.736 2.291 . . . . 0.0 112.435 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.41 -46.27 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.412 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.542 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 27.6 mtmm -62.42 -41.25 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.612 0.244 . . . . 0.0 111.376 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.86 -42.91 89.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.134 0.492 . . . . 0.0 109.807 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -56.37 -55.48 33.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.388 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -62.16 -31.64 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.457 -177.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 mt -68.43 -30.24 69.08 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.599 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.85 -44.42 93.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 97.0 mmm -74.6 -36.61 62.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.55 -40.18 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.4 t80 -66.94 -47.94 70.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.465 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.81 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.492 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -67.13 -49.4 64.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.463 ' O ' HG13 ' B' ' 80' ' ' ILE . 6.7 p -64.78 -36.13 83.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 110.883 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.4 mmt -62.64 -37.17 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.208 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.65 80.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.663 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.722 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 85.6 tt0 -60.91 -50.63 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.118 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 76' ' ' SER . 22.2 mt -56.54 -40.53 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.46 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.47 55.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.154 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.75 -9.6 38.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.086 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.439 ' HA ' ' ND2' ' B' ' 133' ' ' ASN . 22.7 t -76.28 -72.8 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.513 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -147.91 -176.38 5.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.364 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -170.05 -174.49 1.78 Allowed 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.861 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.55 -76.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.859 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.66 17.18 10.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.111 -173.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.84 -149.85 24.42 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.675 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -154.96 156.49 36.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.21 -49.57 71.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.346 0.404 . . . . 0.0 110.853 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -61.75 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -57.35 -50.62 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 0.1 OUTLIER -76.03 -23.43 55.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.238 -173.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 86.1 m -66.58 -48.89 68.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.171 0.51 . . . . 0.0 109.719 174.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 t -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.112 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -65.06 -54.01 36.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' B' ' 101' ' ' MET . 68.5 mt -61.65 -41.01 88.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.04 80.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -36.78 84.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.605 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -70.8 -35.04 72.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.051 0.453 . . . . 0.0 111.098 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.8 mmt -66.14 -34.29 77.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.5 m -64.52 -43.72 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.666 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.2 p-10 -75.74 -26.51 57.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.664 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.63 93.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.008 178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 24.1 m-85 -67.04 -33.88 76.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.57 -19.09 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.224 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.666 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 71.0 mm-40 -86.46 -42.49 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.686 178.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -74.32 -73.39 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.837 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 30.0 p -87.03 -38.99 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.66 6.55 30.66 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.9 p -140.48 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.68 130.75 60.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.258 0.552 . . . . 0.0 111.167 -175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' B' ' 115' ' ' PRO . 56.8 t30 -87.81 113.2 23.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.742 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.47 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 27.5 mt-30 -61.47 -52.14 72.25 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.546 ' HD2' ' OD1' ' B' ' 113' ' ' ASN . 79.8 Cg_exo -47.66 -41.82 30.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 122.276 1.984 . . . . 0.0 112.625 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.601 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.3 t80 -60.54 -55.55 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 113' ' ' ASN . 42.6 mm -57.87 -39.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.994 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.75 -42.52 86.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.747 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 28.8 mm-40 -70.78 -26.02 63.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 116' ' ' PHE . 51.4 mm -61.83 -36.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 63.3 p -61.74 -34.56 76.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 0.0 110.837 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.56 -35.15 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.802 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.07 -55.41 34.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.377 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -39.2 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.522 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 16.5 t -67.99 -47.84 67.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.538 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -67.77 -35.53 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.01 -22.45 62.15 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.163 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.98 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.6 mp0 -79.25 -33.2 43.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.932 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.03 53.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.234 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.57 29.75 67.36 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.368 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.17 4.74 22.16 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 121.826 0.822 . . . . 0.0 110.792 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' B' ' 83' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.307 -1.257 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 174.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.15 -33.14 91.38 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.279 1.986 . . . . 0.0 112.091 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -94.25 23.34 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.525 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -77.7 -16.48 58.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.358 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.72 147.18 22.08 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-O 120.537 0.208 . . . . 0.0 111.304 -176.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.39 -36.57 87.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.607 2.871 . . . . 0.0 113.628 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.13 -38.81 88.09 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.113 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -87.42 -29.52 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.697 -0.296 . . . . 0.0 110.732 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.47 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.16 -21.2 43.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -37.68 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.172 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -55.61 -43.91 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.5 mmt -64.46 -45.22 88.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -64.76 -45.37 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.239 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.6 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 16.2 p -74.04 -19.1 60.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CE2' HD22 ' A' ' 27' ' ' LEU . 81.2 t80 -82.33 -57.85 3.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.8 mmm -63.52 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.343 -0.39 . . . . 0.0 112.038 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.6 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 25.9 pt20 -63.47 -28.46 69.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.388 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.55 -31.43 7.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.874 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 33' ' ' PHE . 40.5 tp -67.25 -30.11 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.196 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -69.84 -1.78 10.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 t -116.22 14.12 15.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 0.0 109.826 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.8 mmt -100.08 138.32 20.26 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.77 -12.5 22.03 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.121 2.547 . . . . 0.0 113.013 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.49 -12.34 80.22 Favored Glycine 0 C--N 1.316 -0.543 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.844 -175.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' HD11 ' A' ' 27' ' ' LEU . 72.1 m-85 -122.02 164.83 17.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.181 0.515 . . . . 0.0 111.796 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 44.3 p -111.84 174.4 5.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.456 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.51 72.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.572 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -46.35 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.27 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.31 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.945 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.0 mt -64.19 -36.17 83.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.35 -51.09 70.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.069 0.461 . . . . 0.0 110.193 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 55.0 m-20 -60.8 -45.57 93.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.312 -176.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.531 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 6.5 ptm -79.7 -26.64 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.408 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -67.34 -32.72 73.87 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -64.77 -45.85 84.62 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.965 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 48' ' ' MET . 66.5 mt -64.56 -42.85 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.829 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.6 -54.27 12.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 49' ' ' VAL . 15.6 mt-30 -73.78 -30.83 62.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.58 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 8.9 t -61.55 -41.36 97.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.574 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -63.6 -48.66 76.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 46' ' ' GLN . 8.2 m -65.68 -33.29 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -76.85 -29.59 55.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.575 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 22.9 t -71.19 -38.05 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.956 174.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 48' ' ' MET . 78.7 mt -61.18 -43.18 95.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.11 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.04 -35.26 78.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.6 m -65.23 -40.36 93.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.501 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.38 -38.26 84.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.92 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.67 91.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.67 -27.14 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.123 0.487 . . . . 0.0 111.237 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -88.53 -3.14 58.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 34.07 75.35 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.094 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -131.87 49.33 2.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.348 0.594 . . . . 0.0 111.411 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 122.75 41.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.553 173.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -137.37 150.86 70.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.38 -42.97 52.42 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.911 2.408 . . . . 0.0 112.596 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.58 -51.01 71.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -67.43 -35.33 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.61 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.58 -41.33 72.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.486 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.44 -45.66 93.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.59 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.56 -33.87 73.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.981 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.68 -29.54 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.77 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.78 -47.47 85.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.414 ' SD ' ' CE2' ' A' ' 116' ' ' PHE . 96.0 mmm -75.52 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -52.36 -44.0 64.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.87 0.367 . . . . 0.0 110.137 174.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.4 t80 -68.17 -49.23 62.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.496 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.78 -33.72 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.012 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 m -77.81 -30.76 51.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 10.3 p -88.26 4.57 45.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.05 0.452 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -97.14 -15.73 20.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 169.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.05 -53.16 8.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.963 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.514 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -70.85 -31.69 68.47 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.603 -177.262 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mt -57.19 -44.16 83.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.324 0.583 . . . . 0.0 109.509 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -69.27 -54.3 15.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.622 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.55 -49.45 64.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.676 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -57.72 -66.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.06 153.55 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.221 -168.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.26 -174.24 2.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.191 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.89 -133.75 4.06 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.042 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 1.9 71.42 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.49 115.88 3.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.08 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.9 t -69.98 172.4 7.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.23 -41.34 96.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -69.12 -36.75 77.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.301 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -66.32 -48.0 71.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.359 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.93 -33.96 76.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.143 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.7 m -67.59 -48.81 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.397 . . . . 0.0 111.038 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.8 p -68.93 -30.43 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.822 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -54.52 -53.39 55.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.792 177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.1 mt -65.87 -42.94 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.78 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.55 80.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.99 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.6 t -67.14 -35.62 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 0.0 110.715 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -78.24 -28.84 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.5 mmt -70.13 -35.78 74.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.293 0.568 . . . . 0.0 109.773 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' VAL . 37.6 t -65.42 -39.9 92.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.663 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.1 p-10 -76.65 -23.33 53.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.92 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.72 90.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.915 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.582 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 45.4 m-85 -72.56 -29.99 64.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.731 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.66 -13.93 61.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.33 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.663 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 72.0 mm-40 -94.0 -40.73 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.687 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -74.3 -54.73 7.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.318 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 t -115.39 -27.28 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.498 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.62 31.55 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.503 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.6 p -153.27 151.88 10.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 102' ' ' SER . 3.9 p -125.82 132.42 70.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 0.0 111.003 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.38 120.01 20.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.311 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.44 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 25.1 mp0 -56.0 -50.41 87.46 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.161 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.2 Cg_exo -44.74 -47.89 11.1 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.345 2.03 . . . . 0.0 112.87 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' HG12 ' A' ' 120' ' ' ILE . 64.7 t80 -54.67 -50.18 68.83 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.518 0.512 . . . . 0.0 111.261 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.07 -33.76 65.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.244 0.545 . . . . 0.0 110.26 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -73.79 -22.51 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 39.8 mt-10 -76.43 -47.43 23.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.313 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 116' ' ' PHE . 33.1 mm -60.19 -39.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.296 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -61.98 -27.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.096 0.474 . . . . 0.0 111.518 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -83.3 -29.55 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.66 -46.19 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.18 -38.19 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.052 0.453 . . . . 0.0 110.978 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -78.47 -41.34 32.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.877 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -63.29 -43.31 98.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.707 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.82 -30.22 71.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.622 0.249 . . . . 0.0 111.243 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.77 -39.75 91.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.171 0.51 . . . . 0.0 111.081 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.0 mt-30 -84.98 -24.38 28.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.924 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -57.03 14.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.08 33.11 27.29 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.029 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -76.68 1.14 17.87 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.261 1.029 . . . . 0.0 110.335 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 113.507 -1.679 . . . . 0.0 109.485 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.4 -19.9 61.4 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -109.69 26.46 10.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.213 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.447 HG23 HD22 ' B' ' 12' ' ' ASN . 15.0 t -76.38 -15.86 59.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.264 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -150.21 152.38 33.41 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 12.1 Cg_endo -56.18 -36.6 96.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.821 2.347 . . . . 0.0 112.889 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.44 8.55 9.5 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.418 0.449 . . . . 0.0 113.855 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -125.03 -30.59 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.31 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.543 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -80.65 -33.3 35.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.696 179.291 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.57 -37.84 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.911 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -53.51 -43.01 67.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 mmt -61.45 -46.33 90.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 109.838 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -64.96 -44.13 90.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.507 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 53.6 p -67.69 -15.14 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.797 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' B' ' 27' ' ' LEU . 77.8 t80 -90.19 -51.31 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 110.644 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 94.3 mmm -66.47 -22.03 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.146 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -63.29 -34.53 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.66 -33.33 6.79 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.306 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 33' ' ' PHE . 40.0 tp -65.62 -25.81 67.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.224 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -63.93 -17.18 62.98 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.5 m -122.08 32.77 5.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.959 0.409 . . . . 0.0 110.805 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.4 mmt -98.97 137.47 20.5 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.485 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.83 -26.9 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.009 2.473 . . . . 0.0 113.595 -174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.31 82.6 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.991 -0.624 . . . . 0.0 114.191 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' B' ' 27' ' ' LEU . 24.4 m-85 -116.37 170.12 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.496 0.648 . . . . 0.0 112.446 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 55.4 p -118.96 178.65 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.234 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.89 -11.49 58.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.288 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -90.77 -42.51 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.548 ' NE2' ' HB2' ' B' ' 84' ' ' GLU . 0.5 OUTLIER -57.02 -46.98 81.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.785 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.21 -44.38 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.904 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.39 -45.73 82.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.346 . . . . 0.0 110.94 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' B' ' 43' ' ' THR . 0.9 OUTLIER -67.01 -42.04 85.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.343 -177.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.514 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 11.7 ptm -77.2 -30.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.035 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.0 t -64.39 -30.11 71.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.399 0.619 . . . . 0.0 109.401 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 69.0 m -62.42 -42.54 99.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.217 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.587 ' O ' ' HG2' ' B' ' 48' ' ' MET . 51.5 mt -73.59 -35.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.64 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.182 0.515 . . . . 0.0 110.467 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' B' ' 49' ' ' VAL . 22.4 mt-30 -67.01 -35.1 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 49.9 m -59.54 -37.58 78.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 0.0 110.281 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 77.7 mmm -69.08 -44.72 71.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.6 m -69.86 -34.48 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.812 0.339 . . . . 0.0 111.217 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' B' ' 46' ' ' GLN . 43.6 mt-30 -70.36 -38.54 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.619 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 70.3 m -61.21 -46.24 91.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.839 175.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.72 -41.24 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -64.65 -40.71 95.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.294 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -63.11 -37.66 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.445 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.834 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.96 86.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.655 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.29 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.008 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' B' ' 60' ' ' ARG . 26.6 mt-30 -86.04 -16.01 39.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.935 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.33 36.16 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.249 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.4 ' HD3' ' NE2' ' B' ' 58' ' ' GLN . 28.4 mtp180 -116.19 19.16 15.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -177.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.5 p -74.83 120.01 19.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.042 0.448 . . . . 0.0 111.14 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -136.83 147.09 57.85 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.779 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.14 -37.45 79.74 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.061 2.507 . . . . 0.0 112.781 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.12 -50.2 74.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.486 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 49.5 mttm -64.68 -41.94 95.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.485 -177.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.97 -42.86 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.25 -48.88 77.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.915 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.47 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.079 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.31 -33.79 76.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.768 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' B' ' 70' ' ' ASN . 9.4 m120 -60.89 -42.41 97.92 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.104 175.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -73.34 -41.19 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.561 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.553 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -53.41 -40.91 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 0.0 110.255 175.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.606 ' O ' ' HG2' ' B' ' 77' ' ' MET . 76.9 t80 -67.41 -53.92 24.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.22 -35.44 71.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.945 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 -39.62 41.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.045 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.598 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 22.7 p -70.95 -31.49 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -67.62 -25.44 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 109.957 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -51.25 20.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.681 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.598 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -62.12 -41.51 98.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.161 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.557 HD11 HD12 ' B' ' 44' ' ' ILE . 16.4 mt -60.13 -45.43 95.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' B' ' 33' ' ' PHE . . . -66.42 -42.54 87.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 110.441 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.53 71.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.921 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -64.38 -78.37 0.05 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.548 ' HB2' ' NE2' ' B' ' 37' ' ' GLN . 2.9 mp0 -76.97 170.61 16.2 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.375 0.607 . . . . 0.0 111.63 -175.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.69 -167.16 2.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.667 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.01 -66.34 0.53 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.988 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -106.19 -0.76 38.36 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.755 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.41 119.27 1.75 Allowed Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.333 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -73.59 178.53 4.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.31 -39.38 82.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.538 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -75.94 -31.02 58.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.087 0.47 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -70.26 -51.23 32.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.3 -33.42 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 84.6 m -68.06 -45.52 73.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.241 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.1 p -71.81 -31.2 66.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.385 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -58.61 -44.68 90.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.76 177.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.89 -48.18 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.598 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.85 84.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.4 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -60.62 -44.0 96.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.673 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.8 75.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.18 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.48 -42.44 99.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -59.12 -33.4 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.5 t30 -76.26 -42.46 45.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.18 -42.24 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.756 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.653 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.3 m-85 -65.68 -31.56 72.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 0.0 111.394 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.89 -22.76 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.756 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 31.5 mm-40 -78.64 -39.32 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.37 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -85.0 -69.16 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.505 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.9 t -97.81 -31.9 11.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.703 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.46 24.72 9.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.564 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -158.28 149.85 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.04 128.58 57.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 0.0 111.652 -174.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.38 101.26 4.03 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -53.59 -52.91 62.74 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 10.1 Cg_endo -53.46 -43.09 60.48 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.257 1.972 . . . . 0.0 112.402 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 46.1 t80 -53.87 -45.91 71.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.28 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -66.84 -31.14 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.582 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.7 -10.77 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 115' ' ' PRO . 40.6 mt-10 -85.59 -42.26 14.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 116' ' ' PHE . 16.8 mm -62.81 -30.67 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.181 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 28.0 p -66.22 -20.95 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.489 . . . . 0.0 111.498 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -90.88 -28.15 18.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.579 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.2 mt -69.5 -50.94 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.096 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.92 -39.1 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.4 p -74.3 -46.13 43.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.708 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.5 ptm -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.525 -175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.61 -31.51 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.78 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.54 . . . . 0.0 110.687 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' B' ' 129' ' ' GLN . 3.3 mt-30 -74.21 -39.07 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.743 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.65 68.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.909 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.83 39.68 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.405 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -71.61 0.37 8.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.633 0.73 . . . . 0.0 110.93 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.256 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 11' ' ' THR . 2.2 p . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.98 2.38 3.71 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.542 2.161 . . . . 0.0 112.731 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -138.84 18.4 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.72 0.295 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.584 HG23 ' OD1' ' A' ' 12' ' ' ASN . 10.1 t -67.39 -28.06 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.185 0.517 . . . . 0.0 110.95 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.584 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.6 p-10 -159.96 153.16 18.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.0 Cg_endo -51.05 -35.42 50.82 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.181 2.587 . . . . 0.0 112.706 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -12.73 31.87 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.807 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -115.81 -26.16 7.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.297 0.549 . . . . 0.0 110.879 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.05 97.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 14.1 pt-20 -78.42 -7.97 57.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.483 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -83.37 -27.58 29.56 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.279 -0.263 . . . . 0.0 110.861 -178.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.32 -52.21 66.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.918 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -30.17 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.482 0.182 . . . . 0.0 111.275 -176.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -65.08 -45.94 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.527 . . . . 0.0 109.896 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 49.1 m -66.9 -22.3 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 27' ' ' LEU . 87.7 t80 -78.93 -56.88 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.794 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.99 -29.86 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.056 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 23.9 pt20 -67.99 -17.45 64.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 111.216 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.84 -24.18 6.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.542 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 33.8 tp -71.91 -22.79 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.536 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -63.92 -18.81 64.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -107.48 16.8 23.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmt -102.99 150.28 37.66 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.52 171.97 17.09 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.533 2.156 . . . . 0.0 110.914 172.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 90.57 -47.64 3.04 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.47 -0.872 . . . . 0.0 112.403 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -102.97 122.5 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.938 0.399 . . . . 0.0 110.587 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 46.8 p -86.7 166.09 15.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.25 40.13 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.317 0.386 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -65.67 -46.37 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.317 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 84' ' ' GLU . 11.1 mm100 -71.82 -25.14 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -169.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -69.43 -21.57 63.73 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.508 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.51 -41.71 94.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 109.77 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 39.3 m-20 -66.48 -42.51 87.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.619 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 80' ' ' ILE . 12.4 mtp -76.37 -38.8 55.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.678 -175.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -63.57 -26.74 68.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.4 m -62.66 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.331 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.1 mt -72.86 -36.08 51.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.422 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.32 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.743 176.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.476 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -70.26 -37.98 75.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.886 177.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -56.38 -43.36 79.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 88.4 mmm -68.29 -45.5 72.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.297 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 33.2 m -65.52 -39.38 84.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.756 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.25 -45.27 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.483 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.2 m -56.97 -46.67 82.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.047 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 99.0 mt -63.58 -46.73 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.786 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.1 pt20 -70.23 -27.49 64.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 0.0 110.064 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 51' ' ' SER . 46.8 mt -63.42 -36.18 82.88 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.092 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -34.97 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.507 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.87 -42.1 64.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.74 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.57 -20.82 62.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.268 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.16 49.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.011 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 14.4 mtp180 -111.92 31.59 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.507 -175.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -82.99 128.51 34.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.369 0.604 . . . . 0.0 111.979 -176.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -151.6 146.13 18.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.72 -49.75 14.79 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.735 2.29 . . . . 0.0 112.484 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -71.02 -27.91 64.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 18.4 ttmm -73.42 -35.92 65.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.35 -34.05 75.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.535 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.3 -34.94 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.69 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -4.1 28.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.167 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 mt -112.98 5.23 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.09 -53.31 4.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.59 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.444 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 33.3 mtp -79.99 -22.99 41.87 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.8 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.76 -33.52 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.497 172.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 77' ' ' MET . 81.0 t80 -76.99 -42.57 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 0.0 110.114 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.51 -32.1 72.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.639 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -81.67 -40.65 22.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.538 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.7 p -63.73 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.074 0.464 . . . . 0.0 110.803 178.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -65.64 -31.49 72.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.87 -39.92 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 76' ' ' SER . 10.5 pt-20 -71.72 -22.91 61.56 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.859 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 76' ' ' SER . 5.1 mt -75.22 -48.18 32.67 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.434 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -60.71 -51.46 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.146 -176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.98 98.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.394 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 m -78.81 -46.42 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.879 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HB3' HE21 ' A' ' 37' ' ' GLN . 31.3 mm-40 -96.5 138.28 34.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.724 0.773 . . . . 0.0 112.351 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -95.15 -155.9 0.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.675 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.69 -94.17 0.14 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.341 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.2 25.38 6.71 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.688 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -173.89 155.14 21.27 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.95 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.3 t -83.64 -167.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.76 -40.76 80.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.9 m -68.49 -32.74 72.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 m -77.9 -48.88 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.872 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -61.17 -35.71 77.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -69.98 -48.09 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m -65.79 -33.1 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -59.58 -55.18 37.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.491 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 81' ' ' ALA . 56.7 mt -65.3 -40.36 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.39 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.89 -176.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.9 t -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.07 73.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.989 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.06 -47.2 75.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.6 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 18.4 m -57.67 -36.2 71.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.309 0.576 . . . . 0.0 110.276 176.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.8 t30 -64.05 -38.46 91.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.966 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.05 95.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 71.7 m-85 -66.28 -32.67 74.22 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.283 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.9 mt -71.9 -17.49 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 62.6 mm-40 -91.54 -36.28 13.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.723 0.297 . . . . 0.0 110.71 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -71.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.447 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.3 p -87.95 -54.84 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.974 0.416 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.82 -5.77 9.05 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.5 p -131.49 148.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.58 132.52 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.403 -175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.41 99.76 6.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.509 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 36.1 tt0 -57.71 -49.49 93.48 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 51.3 Cg_exo -55.46 -38.17 94.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.79 1.66 . . . . 0.0 111.916 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.618 ' O ' HG12 ' A' ' 120' ' ' ILE . 28.5 t80 -60.55 -52.04 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.76 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.277 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.257 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.11 -30.04 66.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.3 mm -60.22 -37.19 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.195 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.1 p -63.84 -33.05 74.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.616 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 122' ' ' GLN . 18.8 mt-30 -70.49 -34.6 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.821 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 99.3 mt -60.8 -51.32 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.73 -35.39 70.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.175 0.512 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.2 t -66.27 -54.59 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.69 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -60.79 -39.82 90.29 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -65.92 -22.45 66.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.476 0.179 . . . . 0.0 111.313 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.748 0.308 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -88.91 -24.54 22.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.781 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.98 84.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.599 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.88 76.84 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.758 -0.656 . . . . 0.0 113.282 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -80.05 6.56 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.883 0.849 . . . . 0.0 110.638 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.31 -1.126 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.602 175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.46 -15.14 28.62 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.363 2.042 . . . . 0.0 112.708 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -126.92 23.79 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.456 HG23 ' ND2' ' B' ' 12' ' ' ASN . 8.8 t -66.16 -27.59 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.786 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.456 ' ND2' HG23 ' B' ' 11' ' ' THR . 12.2 p30 -152.58 155.4 32.65 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 50.5 Cg_exo -56.5 -28.33 73.21 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.98 2.453 . . . . 0.0 112.549 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.6 -11.37 56.86 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.074 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -111.85 -39.81 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.854 0.359 . . . . 0.0 110.059 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.35 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.717 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 16.7 pt-20 -70.14 -26.31 63.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.517 . . . . 0.0 110.876 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -87.13 -7.64 57.8 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.132 -0.355 . . . . 0.0 111.217 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -65.97 -53.84 33.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -27.02 63.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.974 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 29.7 m-80 -64.32 -53.63 45.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 175.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -60.24 -33.56 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.672 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.575 ' CE2' HD22 ' B' ' 27' ' ' LEU . 80.4 t80 -65.54 -53.52 40.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.064 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.1 mmm -60.58 -37.81 82.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.718 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.4 mt-30 -57.26 -47.26 81.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.47 . . . . 0.0 110.472 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -76.25 -33.18 49.88 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.451 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.0 tp -71.87 -31.9 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.812 0.339 . . . . 0.0 111.278 -177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -67.96 -8.77 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 p -113.54 21.45 15.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.458 . . . . 0.0 110.406 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 23.9 mmt -109.11 147.32 35.69 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.0 151.31 30.68 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.095 1.863 . . . . 0.0 110.95 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . 0.523 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 117.91 -39.76 2.52 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.556 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -102.11 126.25 49.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.334 0.588 . . . . 0.0 111.298 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -90.68 178.14 6.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.411 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.53 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.196 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.4 m -64.69 -48.74 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' B' ' 41' ' ' MET . 15.8 mm100 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.06 -33.81 76.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.97 -47.9 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.6 -45.12 84.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.434 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.1 ptp -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -64.24 -29.53 70.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.131 0.491 . . . . 0.0 109.739 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 m -68.27 -52.37 34.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.381 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.402 HD12 HD11 ' B' ' 80' ' ' ILE . 57.4 mt -64.23 -40.09 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.178 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -43.98 71.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 110.975 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.436 ' O ' HG22 ' B' ' 49' ' ' VAL . 0.0 OUTLIER -73.99 -35.78 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.2 t -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.825 0.345 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.24 -42.01 93.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.38 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 16.2 m -68.4 -35.66 71.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.641 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.35 -46.14 91.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.453 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 54.5 m -57.83 -49.54 76.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.314 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.84 -47.94 87.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.744 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.7 pt20 -69.51 -31.18 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.206 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -67.0 -34.07 76.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 51' ' ' SER . 62.6 mt -69.7 -28.29 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.62 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.16 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 110.993 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -83.59 -3.78 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.155 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.98 84.35 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.546 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -111.84 15.91 20.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.643 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -80.31 121.01 25.12 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 34.9 m -143.85 158.49 56.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.627 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 12.2 Cg_endo -51.81 -43.23 52.88 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.47 2.78 . . . . 0.0 112.577 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -83.1 -36.94 24.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.628 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 20.3 mtmm -69.05 -35.32 76.45 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.85 -35.37 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.453 . . . . 0.0 110.141 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.09 -38.68 87.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.305 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.73 8.44 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.87 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 mt -121.71 4.78 10.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.361 0.6 . . . . 0.0 109.386 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.56 -50.43 7.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.659 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtp -85.43 -24.9 27.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.41 -29.86 50.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.422 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.584 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -80.46 -39.71 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -66.07 -32.93 74.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.318 -178.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.5 p -75.45 -42.91 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.7 p -64.58 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.8 mmt -68.25 -33.71 74.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.916 0.389 . . . . 0.0 110.249 175.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -43.56 68.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.061 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 76' ' ' SER . 11.0 pt-20 -67.37 -30.68 70.54 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.19 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' SER . 24.0 mt -70.65 -49.76 49.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 174.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' B' ' 93' ' ' LYS . . . -63.19 -55.42 25.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.985 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.5 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.977 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 43.1 m -67.08 -55.56 13.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.74 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.41 161.18 15.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.733 0.301 . . . . 0.0 111.436 -173.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.3 -168.45 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.34 -37.71 0.64 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.907 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.43 19.27 9.24 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.523 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.01 141.3 5.52 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -90.09 -172.53 3.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.18 -35.54 67.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.96 0.41 . . . . 0.0 111.109 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -72.71 -48.68 36.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.116 0.484 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -48.28 82.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.205 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 81' ' ' ALA . 18.8 ptpt -63.97 -25.24 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.249 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 95.6 m -78.04 -53.98 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 48.7 m -65.82 -31.24 72.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.455 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -57.47 -50.25 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.47 -49.21 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.32 77.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.788 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -65.99 -43.6 87.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.87 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.606 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.5 mmt -60.61 -47.91 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -59.7 -34.2 72.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.038 0.447 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.5 t30 -65.13 -43.88 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.814 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.58 80.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.501 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.617 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 34.9 m-85 -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.259 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.43 -24.24 60.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 67.3 mm-40 -80.61 -32.8 36.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -86.66 -74.36 0.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.084 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 35.3 p -89.87 -45.45 9.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.1 0.476 . . . . 0.0 111.246 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.19 14.53 13.11 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.617 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -144.39 147.65 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.5 127.22 60.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.074 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.2 102.24 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 35.7 tt0 -54.45 -54.54 47.37 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.462 -176.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 12.2 Cg_endo -55.85 -37.37 95.9 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.015 1.81 . . . . 0.0 112.121 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.599 ' O ' HG12 ' B' ' 120' ' ' ILE . 41.8 t80 -58.59 -51.94 67.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.519 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.41 -38.61 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -68.32 -45.71 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.447 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 53.9 mm-40 -61.22 -28.5 69.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.304 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.3 mm -60.9 -40.8 86.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.34 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.3 p -61.47 -37.38 83.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.345 0.593 . . . . 0.0 110.606 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.6 -38.76 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.525 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.19 -53.17 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.71 -38.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 0.0 110.573 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 31.6 t -67.31 -45.2 77.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.49 -40.44 77.04 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -67.01 -20.5 65.88 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.94 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.7 mp0 -84.58 -23.44 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.299 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -48.4 77.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.91 28.42 73.64 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.342 173.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.52 10.26 4.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.439 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.617 178.417 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.71 -10.49 28.93 Favored 'Trans proline' 0 C--O 1.222 -0.317 0 C-N-CA 122.24 1.96 . . . . 0.0 112.058 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.2 p90 -124.33 17.65 9.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.462 HG23 HD22 ' A' ' 12' ' ' ASN . 8.8 t -73.58 -16.26 61.25 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.787 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.462 HD22 HG23 ' A' ' 11' ' ' THR . 11.6 p30 -156.99 152.33 21.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.09 -34.38 77.73 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.003 2.469 . . . . 0.0 112.692 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.12 -50.18 70.5 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.879 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.26 -34.04 72.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.65 -0.324 . . . . 0.0 110.879 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.97 83.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.992 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.52 -27.04 63.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.759 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -71.24 -22.4 61.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.04 -44.64 97.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.125 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -61.98 -45.97 91.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -59.37 -49.84 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.26 -26.94 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.046 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -77.25 -51.48 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.02 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.295 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.94 -22.4 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 0.0 110.47 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.93 -38.49 4.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.926 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.98 -31.28 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.278 . . . . 0.0 111.159 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 t -63.45 -16.65 61.22 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.244 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -99.95 9.95 42.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.043 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -93.38 147.71 34.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.097 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.71 -28.29 6.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.819 2.346 . . . . 0.0 113.206 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.37 -5.8 68.2 Favored Glycine 0 C--N 1.328 0.116 0 CA-C-N 116.088 -0.505 . . . . 0.0 114.189 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -124.69 153.27 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.207 0.527 . . . . 0.0 111.612 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 41.3 p -112.76 158.95 19.47 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.1 -178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.51 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.564 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 p -65.62 -60.22 3.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.8 mm-40 -67.54 -26.04 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.739 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 34' ' ' THR . 64.3 mt -61.78 -34.05 75.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.927 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.63 -36.22 70.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.714 0.292 . . . . 0.0 110.587 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.94 -48.74 80.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.278 0.561 . . . . 0.0 110.24 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.47 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 8.3 ptp -74.08 -32.66 63.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.63 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m -60.6 -35.3 75.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.029 0.443 . . . . 0.0 109.837 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -59.72 -41.08 90.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.763 176.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 HD11 ' A' ' 80' ' ' ILE . 47.7 mt -75.57 -37.49 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.647 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.06 72.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.546 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.45 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.754 177.635 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 t -59.98 -40.21 88.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.526 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 90.7 mmm -68.53 -44.62 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -177.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.03 -37.25 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.047 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.91 -37.77 88.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.7 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.58 -39.74 95.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 69.9 mt -66.38 -47.1 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.275 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.77 -46.33 89.49 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.769 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 p -65.21 -43.83 90.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.4 -32.32 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.015 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -38.58 77.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.95 86.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.392 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -75.17 -13.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.045 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.24 62.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.108 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -105.56 4.78 30.75 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.164 0.507 . . . . 0.0 110.598 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -85.69 124.31 32.07 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.895 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 65' ' ' LYS . 7.1 m -114.64 157.86 41.78 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.99 -35.18 59.89 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.468 2.112 . . . . 0.0 112.302 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -84.3 -26.74 28.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.776 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -76.41 -29.81 57.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.896 0.379 . . . . 0.0 110.271 -177.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.85 -31.48 69.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 0.0 110.253 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.546 HE22 ' HA ' ' B' ' 133' ' ' ASN . 8.1 tt0 -69.44 -42.54 74.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.385 172.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -73.79 71.22 1.47 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.944 0.878 . . . . 0.0 110.23 176.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 6.5 mt 175.62 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.621 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.447 HD22 ' HA ' ' A' ' 70' ' ' ASN . 2.3 t-20 -63.18 -44.01 96.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -32.21 60.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.857 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.345 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' N ' ' HE2' ' A' ' 48' ' ' MET . 57.9 t80 -63.47 -49.55 73.19 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.87 -39.62 81.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.635 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -76.43 -32.46 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.578 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 t -67.7 -32.3 72.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.374 0.607 . . . . 0.0 110.163 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 41' ' ' MET . 12.0 mmt -75.32 -22.58 57.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.05 21.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 16.4 pt-20 -61.43 -37.16 82.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.472 0.177 . . . . 0.0 110.727 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 44' ' ' ILE . 16.1 mt -65.2 -55.27 21.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.876 0.369 . . . . 0.0 110.451 176.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.22 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.03 92.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.957 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 m -81.21 -45.09 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.803 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -127.12 150.93 49.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 111.739 -176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.41 176.44 10.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.143 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.8 -8.17 3.16 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.446 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.28 40.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.06 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.58 123.97 1.91 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.006 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -66.52 169.78 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.69 -42.94 84.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -68.96 -37.88 79.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 m -66.04 -47.86 72.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.054 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.57 -38.25 83.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.072 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 m -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.618 0.247 . . . . 0.0 110.877 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.1 t -60.95 -33.0 72.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m -66.7 -49.05 67.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.905 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.4 mt -66.96 -46.24 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.186 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.09 86.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.725 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t -69.22 -32.02 71.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.793 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -75.08 -23.52 58.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 111.043 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mmt -72.67 -45.21 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -68.28 -33.75 74.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.8 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.59 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -76.28 -20.73 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.37 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.21 -38.22 72.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.12 -33.93 74.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.121 0.486 . . . . 0.0 110.902 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.16 -16.77 63.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.352 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 60.4 mm-40 -95.46 -28.88 14.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.611 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -89.05 -63.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.536 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.9 p -95.18 -43.49 8.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.971 0.415 . . . . 0.0 111.123 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.24 7.18 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.28 148.69 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.133 -0.533 . . . . 0.0 109.929 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.3 t -97.61 147.21 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 16.9 m120 -69.3 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.545 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 6.9 tp60 175.66 -59.08 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 O-C-N 123.439 0.462 . . . . 0.0 111.539 174.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 5.3 Cg_exo -73.87 -26.05 13.71 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.895 1.73 . . . . 0.0 112.61 -171.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 39.5 t80 -53.71 -48.49 69.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 -177.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.19 -36.02 75.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -73.02 -29.33 62.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.129 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.584 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 37.5 mm-40 -69.69 -35.42 75.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.959 0.409 . . . . 0.0 111.128 177.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.3 mm -65.77 -39.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.598 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.5 p -64.08 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.403 0.62 . . . . 0.0 110.597 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 14.9 mt-30 -66.39 -42.51 87.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.707 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.353 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.89 -40.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.786 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 m -69.88 -45.72 67.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.07 -43.79 86.39 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -65.35 -28.22 69.13 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.133 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.03 78.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.783 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.07 -35.43 28.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.43 -49.53 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.003 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 60.33 36.66 91.53 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.011 174.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -81.85 27.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.52 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.316 -0.876 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.25 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.467 ' O ' HG22 ' B' ' 11' ' ' THR . 1.4 p . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.59 -18.14 63.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.281 1.988 . . . . 0.0 112.585 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -117.1 21.58 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.467 HG22 ' O ' ' B' ' 8' ' ' THR . 10.6 t -74.05 -29.14 61.75 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.41 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.426 HD22 HG23 ' B' ' 11' ' ' THR . 11.1 p30 -143.89 152.56 55.73 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.998 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -53.8 -31.61 62.62 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.011 2.474 . . . . 0.0 112.786 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.11 55.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.272 -0.49 . . . . 0.0 112.67 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.16 -32.29 64.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.711 -0.287 . . . . 0.0 110.688 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.57 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.74 -24.38 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.98 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.66 -27.17 66.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.828 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -63.03 -43.47 98.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.055 0.455 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -65.18 -44.51 88.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.894 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.405 ' HA ' ' CD ' ' B' ' 25' ' ' GLN . 22.7 m -68.01 -18.22 64.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 111.139 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' B' ' 27' ' ' LEU . 72.6 t80 -84.28 -55.64 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.416 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.57 -32.0 73.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.668 -176.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.405 ' CD ' ' HA ' ' B' ' 22' ' ' SER . 13.3 pt20 -64.4 -27.01 68.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 110.837 -178.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.22 -32.52 6.68 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.647 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.4 tp -68.23 -29.19 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.367 . . . . 0.0 111.037 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -69.99 -5.96 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -115.65 9.34 15.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.085 0.469 . . . . 0.0 110.481 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.99 141.68 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.0 -14.4 16.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.84 2.36 . . . . 0.0 112.416 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.15 -19.4 63.82 Favored Glycine 0 C--N 1.32 -0.308 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.795 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -126.64 171.22 11.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 111.841 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 23.9 p -114.77 163.48 15.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.318 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.32 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.551 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.4 p -65.98 -48.45 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' B' ' 41' ' ' MET . 28.5 mm-40 -63.87 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.223 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 34' ' ' THR . 89.5 mt -60.98 -35.98 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.68 -39.72 94.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.82 -38.45 58.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.877 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.2 ptp -74.71 -32.96 62.3 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.445 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -58.8 -40.19 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.202 0.525 . . . . 0.0 109.705 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -60.54 -35.12 75.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.543 HD12 HD11 ' B' ' 80' ' ' ILE . 48.6 mt -75.04 -43.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.477 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.96 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.798 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' B' ' 46' ' ' GLN . 0.0 OUTLIER -72.32 -36.66 68.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 178.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 -33.68 75.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.518 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.486 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.6 mmm -73.19 -31.25 64.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.535 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -83.0 -36.68 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.812 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.0 -40.34 96.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.233 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.5 p -64.29 -45.65 87.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -57.89 -45.61 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.558 0.218 . . . . 0.0 110.677 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.39 -42.93 96.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.734 0.302 . . . . 0.0 111.379 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' B' ' 58' ' ' GLN . 47.1 m -63.58 -42.14 98.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 0.0 110.629 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.34 -34.43 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.52 92.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 54' ' ' SER . 25.7 mt-30 -82.1 -7.75 59.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 23.7 77.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.257 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -102.77 13.32 34.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.519 0.676 . . . . 0.0 109.851 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -91.67 134.95 34.25 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.945 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.499 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 12.8 m -144.25 162.89 37.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 11.5 Cg_endo -51.05 -47.69 24.53 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.78 2.32 . . . . 0.0 112.083 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.09 -20.98 37.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.371 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 0.0 OUTLIER -76.6 -37.03 57.12 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.52 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 35.6 tt0 -58.8 -45.59 89.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.635 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' B' ' 69' ' ' LEU . . . -75.3 70.42 2.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 68' ' ' ALA . 9.9 mt 176.22 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.748 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -43.08 97.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.484 177.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mmm -78.9 -32.96 45.97 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.879 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.34 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.222 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.486 ' N ' ' HE2' ' B' ' 48' ' ' MET . 49.1 t80 -65.02 -53.64 42.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.933 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.2 -36.91 73.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.473 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -77.67 -32.04 52.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 5.7 t -70.43 -33.06 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.478 0.656 . . . . 0.0 110.073 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.478 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 17.0 mmt -73.9 -25.44 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.098 0.475 . . . . 0.0 109.819 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.02 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.85 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.2 pt-20 -65.14 -33.03 75.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.59 0.233 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.543 HD11 HD12 ' B' ' 44' ' ' ILE . 16.6 mt -72.72 -48.58 45.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.156 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.53 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.554 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.81 -11.78 56.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.4 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -88.64 -69.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.039 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -112.52 170.87 7.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.415 0.626 . . . . 0.0 112.368 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.523 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 10.1 pt-20 -163.25 -160.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.272 176.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.73 -64.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.5 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.71 -20.32 60.04 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -132.27 156.89 22.24 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 114.628 -0.786 . . . . 0.0 111.622 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -91.1 -176.63 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 0.8 OUTLIER -56.37 -45.81 80.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.072 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -66.98 -38.89 86.88 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.229 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -64.44 -50.3 68.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.37 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.523 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 17.4 ptpt -62.48 -35.5 79.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.775 -177.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 38.1 m -64.28 -47.45 79.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 46.2 t -62.14 -38.2 88.06 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 60.9 m -60.57 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.91 -45.25 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.583 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.6 79.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.555 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -65.35 -39.59 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.87 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.119 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -62.16 -42.58 99.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.296 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -61.38 -36.68 80.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.562 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.3 t30 -72.54 -40.58 66.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.912 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.07 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.781 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.596 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 51.3 m-85 -66.96 -33.82 76.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.78 -23.29 60.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 28.3 mm-40 -77.91 -48.54 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.161 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -72.84 -73.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.346 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . 0.401 HG23 ' H ' ' B' ' 111' ' ' VAL . 2.8 t -92.65 -40.08 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.373 -175.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.87 12.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.878 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.2 p -149.35 151.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.404 HG12 ' H ' ' B' ' 114' ' ' GLN . 43.1 t -101.73 134.12 43.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 3.5 m-20 -61.76 -36.98 82.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.429 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.8 tt0 97.35 -73.39 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.106 1.363 . . . . 0.0 113.088 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 31.5 Cg_exo -59.9 -29.41 89.39 Favored 'Trans proline' 0 C--N 1.367 1.537 0 CA-C-N 121.986 1.745 . . . . 0.0 112.33 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.6 ' O ' HG12 ' B' ' 120' ' ' ILE . 44.5 t80 -52.79 -46.97 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.937 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.54 -38.62 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -74.01 -20.53 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.449 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -79.48 -31.9 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.872 0.367 . . . . 0.0 110.275 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -66.54 -38.95 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 46.5 p -63.01 -26.49 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.334 0.588 . . . . 0.0 110.732 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -78.41 -41.49 32.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.248 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.5 mt -56.68 -47.81 79.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.403 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.25 -30.69 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.073 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -84.56 -35.88 22.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.558 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.562 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 25.5 ptm -65.28 -52.5 53.86 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.214 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.43 -20.29 66.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.9 -20.31 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.562 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 20.8 mt-30 -89.06 -34.63 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.418 . . . . 0.0 109.929 177.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -60.0 4.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.942 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.4 57.95 16.16 Favored Glycine 0 C--N 1.333 0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.862 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 17.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.401 0.619 . . . . 0.0 110.832 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.546 ' HA ' HE22 ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.347 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.457 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 2.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 36.5 Cg_exo -62.39 -15.19 43.55 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.307 2.004 . . . . 0.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -122.3 20.43 10.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.573 -175.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.457 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 12.5 t -75.88 -17.37 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.628 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.423 HD22 HG23 ' A' ' 11' ' ' THR . 11.4 p30 -151.96 154.88 33.22 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -80.48 18.29 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.332 2.688 . . . . 0.0 113.077 -174.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.19 -0.31 10.52 Favored Glycine 0 CA--C 1.503 -0.681 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -124.57 -31.94 3.18 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.648 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -59.93 -33.24 71.62 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.93 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.13 -18.86 62.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.232 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.42 -22.11 52.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.55 -57.31 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 111.121 -176.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -68.43 -49.19 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.491 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 42.7 m -64.37 -19.38 65.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.626 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 38.4 t80 -76.28 -63.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.243 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 10.4 ptm -80.26 -15.02 57.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -168.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.491 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 13.8 pt20 -60.42 -33.29 72.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.0 110.086 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.97 -18.48 43.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.522 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD23 ' SD ' ' A' ' 41' ' ' MET . 31.9 tp -73.09 -28.12 62.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.937 0.398 . . . . 0.0 110.657 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -71.66 5.34 2.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.784 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -120.07 7.11 10.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.036 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.5 mmt -93.77 139.51 22.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.913 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.69 -18.85 32.35 Favored 'Trans proline' 0 N--CA 1.472 0.26 0 C-N-CA 123.014 2.476 . . . . 0.0 113.03 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.19 96.8 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.671 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.66 163.38 12.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 0.0 111.456 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 71.5 p -110.58 166.15 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.975 176.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.26 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 111.519 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -70.66 -33.56 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 10.8 mm100 -89.3 6.43 40.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.531 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 34' ' ' THR . 4.6 mm? -105.44 5.44 31.63 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.917 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.57 -43.36 10.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.112 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.643 ' HA ' ' CD ' ' B' ' 65' ' ' LYS . 0.8 OUTLIER -67.7 -50.19 58.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.693 ' SD ' HD23 ' A' ' 27' ' ' LEU . 43.6 ttm -59.94 -39.68 86.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.214 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 23.6 p -66.08 -35.98 81.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.2 m -61.64 -36.6 81.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.497 HD13 ' OG ' ' A' ' 76' ' ' SER . 59.0 mt -74.15 -37.03 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.821 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.16 81.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.424 HE22 HD21 ' B' ' 55' ' ' LEU . 0.9 OUTLIER -90.59 -9.84 45.57 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 68.5 p -84.13 -39.65 19.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.105 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -64.86 -33.21 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.93 -34.83 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.307 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.68 -36.29 83.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 m -59.84 -55.73 30.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.946 174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 68.2 mt -55.91 -52.57 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.926 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 53' ' ' GLN . 3.1 pt20 -65.19 -36.12 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.408 -175.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.1 m -71.65 -40.66 69.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 51' ' ' SER . 90.8 mt -62.84 -35.95 81.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.706 0.288 . . . . 0.0 110.361 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HA ' ' OG1' ' A' ' 61' ' ' THR . . . -65.76 -48.04 73.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.743 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.13 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 24.1 mt-30 -88.4 0.88 55.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.603 -177.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 41.79 55.25 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 114.525 0.57 . . . . 0.0 114.525 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.494 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.25 18.61 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.35 0.575 . . . . 0.0 111.037 176.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -88.69 139.56 30.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.943 0.401 . . . . 0.0 111.765 178.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.498 ' OG ' ' HE2' ' A' ' 65' ' ' LYS . 36.3 p -150.82 152.04 31.23 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.47 -38.1 43.24 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.327 2.684 . . . . 0.0 113.592 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -73.21 -40.4 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HE2' ' OG ' ' A' ' 62' ' ' SER . 53.4 mtmt -78.52 -24.17 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.42 -33.58 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.497 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.2 tt0 -69.26 -39.86 78.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.231 176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.628 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . . . -57.28 -36.01 70.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.379 0.609 . . . . 0.0 110.647 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -74.8 -1.66 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.4 -50.46 6.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.561 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 86.6 mmm -70.55 -37.4 74.02 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.994 0.426 . . . . 0.0 110.268 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 77' ' ' MET . 82.5 t80 -71.8 -47.24 54.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.298 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.56 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.416 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.402 . . . . 0.0 110.247 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.544 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 12.3 t -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.724 0.774 . . . . 0.0 110.048 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' ' HG3' ' A' ' 41' ' ' MET . 20.7 mmt -73.99 -30.36 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.947 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.79 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.802 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.544 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 14.1 pt-20 -64.0 -37.63 88.14 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.628 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 44' ' ' ILE . 11.3 mt -65.27 -52.4 52.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.432 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.39 77.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.77 82.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.325 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -66.78 -60.89 2.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.899 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.99 159.73 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.357 0.598 . . . . 0.0 112.1 -171.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -160.05 -164.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.695 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -34.2 0.74 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.996 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.76 -41.27 5.71 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.53 167.33 23.57 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.724 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -81.5 -177.69 6.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.469 0.176 . . . . 0.0 110.555 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 65.6 tp -50.97 -40.69 58.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.115 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -45.06 93.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.419 0.628 . . . . 0.0 110.454 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -68.95 -51.23 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.628 -174.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 60.6 pttt -66.7 -31.31 71.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.757 0.313 . . . . 0.0 111.404 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -72.16 -43.6 64.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.368 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.4 t -65.44 -34.24 77.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.524 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.9 m -57.71 -44.17 85.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.626 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.19 -50.48 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.53 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.8 t -65.25 -44.28 88.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.65 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.387 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.2 mmt -61.45 -42.82 99.36 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.475 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.517 ' HA ' HG21 ' A' ' 112' ' ' VAL . 22.9 m -63.52 -34.22 77.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.319 0.581 . . . . 0.0 110.07 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.579 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.7 t30 -67.83 -44.67 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.807 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.36 68.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 34.8 m-85 -66.09 -37.08 84.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.386 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.2 mt -70.01 -22.94 63.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.741 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.6 mm-40 -82.76 -37.89 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -62.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.792 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.9 p -101.06 -44.56 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.781 0.325 . . . . 0.0 111.597 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.98 4.11 19.08 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.3 p -142.27 147.41 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 102' ' ' SER . 2.6 p -121.37 133.48 67.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.902 0.382 . . . . 0.0 111.35 -175.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.27 117.55 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.855 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.44 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 59.4 tt0 -65.1 -55.59 25.72 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.3 Cg_endo -56.01 -34.54 92.6 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.178 1.918 . . . . 0.0 112.731 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 63.4 t80 -53.5 -48.77 68.68 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.769 176.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.28 -32.22 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.926 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.474 HD22 ' N ' ' A' ' 118' ' ' ASN . 0.9 OUTLIER -70.81 -45.63 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -178.027 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.749 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.3 mm -59.12 -37.66 69.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.599 -177.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.6 p -65.64 -23.32 66.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 111.318 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.7 -35.56 62.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.425 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.74 -48.14 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.105 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.67 -33.0 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.79 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.8 t -71.86 -44.76 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.248 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.4 ptm -70.1 -40.28 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -66.6 -20.7 66.07 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.466 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -82.1 -22.28 36.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.993 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -62.15 -53.03 61.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.175 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.79 29.62 61.83 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.397 -0.819 . . . . 0.0 113.87 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -78.93 6.04 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.874 0.845 . . . . 0.0 110.755 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.246 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.739 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 11' ' ' THR . 7.9 p . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.22 -6.25 14.32 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.294 1.996 . . . . 0.0 112.667 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 17.5 p90 -128.77 12.62 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.517 HG22 ' O ' ' B' ' 8' ' ' THR . 9.3 t -77.15 -16.07 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.575 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.445 HD22 HG23 ' B' ' 11' ' ' THR . 10.2 p30 -149.58 150.66 31.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.616 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 51.5 Cg_exo -55.78 -33.57 88.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.921 2.414 . . . . 0.0 112.671 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.79 -54.65 35.65 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.887 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.78 -34.8 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.547 -0.384 . . . . 0.0 110.773 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.93 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 11.1 pt-20 -71.88 -40.15 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.706 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.25 -32.88 74.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.478 0.18 . . . . 0.0 111.141 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.425 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 21.6 ptp -78.64 -26.53 45.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.327 -175.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -66.03 -48.36 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.183 0.516 . . . . 0.0 110.191 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 15.7 m -74.34 -10.74 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.979 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.58 -53.46 10.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.339 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' B' ' 42' ' ' SER . 25.7 mtp -71.65 -23.3 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.857 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 22' ' ' SER . 8.2 pt20 -62.06 -33.4 74.33 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.6 -26.12 21.18 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.518 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.04 -33.85 75.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.372 . . . . 0.0 110.33 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -67.0 -6.58 17.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -111.26 11.29 21.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.977 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -101.15 135.22 19.96 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.15 -22.18 35.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 123.279 2.653 . . . . 0.0 113.561 -175.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.47 -21.34 77.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.772 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -105.9 159.52 15.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.315 0.579 . . . . 0.0 112.121 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 60.7 p -117.32 167.14 11.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.834 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.06 69.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -61.01 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.465 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' B' ' 41' ' ' MET . 10.6 mm100 -70.4 -30.81 67.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.173 0.511 . . . . 0.0 110.85 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.54 11.23 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.983 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.15 -42.13 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.816 172.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -80.56 -54.5 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.052 -175.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 12.4 ptm -67.77 -24.39 65.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -174.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.422 ' HA ' ' SD ' ' B' ' 24' ' ' MET . 12.9 m -65.11 -22.75 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 52.4 m -71.67 -37.03 70.83 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.688 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.546 HD12 HD11 ' B' ' 80' ' ' ILE . 36.8 mt -77.06 -32.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.7 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 0.0 110.777 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.7 pt20 -77.98 -22.63 49.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.036 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 28.0 t -64.14 -43.65 94.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' ILE . 72.6 mmm -64.85 -45.97 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.716 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' B' ' 46' ' ' GLN . 5.2 m -64.35 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -67.73 -29.28 68.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.83 0.348 . . . . 0.0 110.74 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 22.2 m -75.58 -45.79 35.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 48' ' ' MET . 82.1 mt -61.19 -50.14 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.297 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 3.7 pt20 -61.71 -38.13 86.74 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.623 0.249 . . . . 0.0 111.253 -177.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -66.9 -37.45 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 51' ' ' SER . 67.5 mt -66.77 -36.58 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.52 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.73 87.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.12 74.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.158 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -87.28 2.43 50.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.358 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.19 42.64 99.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.912 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -104.21 -6.86 20.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.403 . . . . 0.0 109.978 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 18.6 p -87.46 166.25 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.585 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.524 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 81.5 p -169.01 162.22 7.86 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 13.6 Cg_endo -51.51 -40.7 62.88 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.204 2.603 . . . . 0.0 112.936 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -87.92 -21.31 25.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.099 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.643 ' CD ' ' HA ' ' A' ' 40' ' ' ASP . 51.8 mtmt -92.02 -15.88 27.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.323 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -77.31 -35.18 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.827 0.346 . . . . 0.0 110.787 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.74 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.477 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -68.49 -8.44 41.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.024 0.44 . . . . 0.0 111.739 -176.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -102.02 12.92 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.403 ' N ' HD22 ' B' ' 70' ' ' ASN . 0.9 OUTLIER -92.18 -54.2 3.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 175.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . 0.528 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 94.8 mmm -69.41 -36.68 76.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.949 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.7 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.427 0.454 . . . . 0.0 110.765 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -69.13 -51.92 33.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.553 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.01 72.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.635 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 31.5 t -75.79 -38.82 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' B' ' 79' ' ' GLU . 12.2 t -68.12 -31.26 70.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.218 0.532 . . . . 0.0 110.163 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 30.5 mmt -66.67 -39.91 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.289 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.34 86.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.992 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.628 ' OE2' ' HA ' ' A' ' 68' ' ' ALA . 31.2 tt0 -53.99 -59.49 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.855 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.546 HD11 HD12 ' B' ' 44' ' ' ILE . 16.9 mt -59.39 -42.42 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.54 92.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.426 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' B' ' 90' ' ' LEU . . . -81.32 -23.59 37.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.425 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.15 -44.26 96.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.848 0.356 . . . . 0.0 111.647 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.39 159.54 35.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.96 -153.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.65 -155.08 6.53 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.219 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.08 -12.21 71.41 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.79 -112.51 3.71 Favored Glycine 0 N--CA 1.438 -1.222 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.681 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -131.51 150.78 52.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.596 0.236 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' B' ' 82' ' ' ALA . 58.5 tp -58.66 -42.29 88.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -63.62 -22.68 67.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.459 -178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.3 m -70.47 -28.67 65.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.18 -36.24 81.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -55.73 -49.58 72.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.046 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 35.6 t -68.44 -36.13 78.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.53 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 52.0 m -59.98 -50.03 75.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.63 -48.4 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -44.36 78.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 111.146 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 58.6 m -62.89 -49.17 75.88 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.282 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.49 65.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.804 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.9 mmt -64.01 -45.03 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.16 0.505 . . . . 0.0 109.791 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.7 m -61.1 -38.61 86.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.987 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.3 t30 -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.773 176.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.05 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.464 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.3 m-85 -64.67 -37.09 86.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.031 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -22.57 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 70.2 mm-40 -83.87 -18.76 36.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -107.99 -70.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -88.42 -47.77 8.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.264 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.07 10.59 17.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.452 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.9 p -143.77 146.39 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.06 124.48 59.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.944 0.402 . . . . 0.0 111.245 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -85.07 97.98 10.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.37 -42.74 97.52 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.69 -38.24 36.54 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.942 1.761 . . . . 0.0 112.506 174.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.581 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.2 t80 -66.45 -53.39 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.044 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.02 -42.0 84.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.473 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -62.95 -39.99 96.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.559 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 17.6 mm-40 -73.4 -28.1 61.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.605 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 116' ' ' PHE . 48.4 mm -61.79 -38.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 75.2 p -60.25 -41.62 93.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.12 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.35 -35.9 81.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.517 ' O ' ' HG2' ' B' ' 126' ' ' MET . 93.9 mt -57.85 -46.45 84.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.96 -42.54 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.025 0.44 . . . . 0.0 110.474 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 15.9 p -87.57 14.0 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.1 ptm -116.48 -39.62 3.33 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.223 176.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.0 -23.55 65.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.088 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.27 76.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.406 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.1 mp0 -75.08 -24.76 58.21 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.206 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.88 -50.29 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.069 0.461 . . . . 0.0 109.938 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.07 2.1 61.28 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.894 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.6 -2.41 19.83 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.357 0.579 . . . . 0.0 111.864 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.497 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.992 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.558 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 22.7 Cg_exo -65.83 -7.06 15.54 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.397 2.065 . . . . 0.0 112.587 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 19.6 p90 -134.47 24.3 3.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.594 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.582 HG23 ' OD1' ' A' ' 12' ' ' ASN . 7.4 t -71.9 -38.08 70.0 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.617 0.246 . . . . 0.0 111.585 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.582 ' OD1' HG23 ' A' ' 11' ' ' THR . 2.1 p-10 -157.14 161.49 29.34 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 12' ' ' ASN . 51.3 Cg_endo -68.15 37.99 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.375 2.717 . . . . 0.0 113.452 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.02 2.19 6.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 175.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.74 -34.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.865 -0.667 . . . . 0.0 110.298 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -57.0 -37.31 71.48 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.069 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.65 22.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.336 0.589 . . . . 0.0 110.956 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.6 -22.49 65.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.306 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.41 -51.0 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.549 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' MET . 2.0 mpt? -60.94 -46.16 91.79 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.448 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 41.7 m-80 -57.57 -48.51 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.09 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.56 -44.91 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 84.2 t80 -58.88 -48.96 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.267 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 20' ' ' MET . 75.8 mmm -60.01 -37.89 81.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 93.1 mt-30 -66.27 -42.48 88.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.52 73.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.294 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 tp -68.92 -29.45 67.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.673 0.273 . . . . 0.0 111.317 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -69.02 -6.48 28.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.756 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -110.83 13.97 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.885 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.45 146.1 31.43 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.14 -20.15 11.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.23 2.62 . . . . 0.0 113.467 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 -3.49 88.7 Favored Glycine 0 C--N 1.319 -0.366 0 C-N-CA 121.039 -0.601 . . . . 0.0 114.53 -171.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 27' ' ' LEU . 33.0 m-85 -119.4 168.58 10.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.772 0.786 . . . . 0.0 112.725 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 38' ' ' LEU . 80.9 p -110.77 -174.26 2.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.418 -177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.36 -18.2 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.3 p -88.16 -48.73 7.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.552 -176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.7 mp0 -57.26 -34.95 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.097 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 34' ' ' THR . 2.0 mm? -62.16 -32.5 73.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.237 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.71 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.521 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -56.35 -50.12 72.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 7.5 ptp -73.98 -35.89 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.378 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -60.64 -36.18 78.0 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.358 0.599 . . . . 0.0 109.472 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 m -65.16 -47.11 78.17 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.632 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.52 HD12 HD11 ' A' ' 80' ' ' ILE . 50.3 mt -62.81 -38.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.848 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.43 2.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.67 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -60.12 -39.1 85.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.921 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.451 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 22.5 m -59.46 -41.69 90.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.945 0.402 . . . . 0.0 110.721 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' HG13 ' A' ' 52' ' ' ILE . 71.5 mmm -72.78 -45.8 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.758 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.98 -51.25 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.555 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.66 -40.94 96.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.67 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.3 m -61.54 -42.15 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.503 0.192 . . . . 0.0 110.791 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 48' ' ' MET . 63.0 mt -57.05 -48.55 81.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.964 0.412 . . . . 0.0 110.867 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -68.79 -29.04 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m -71.17 -33.31 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.337 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 51' ' ' SER . 73.7 mt -68.13 -33.55 74.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.107 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.54 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.035 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.26 -21.44 62.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -100.76 -13.91 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.62 36.88 11.2 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.876 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -115.46 11.92 16.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 176.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.75 126.88 31.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.323 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 m -152.77 154.23 31.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.8 Cg_endo -49.7 -54.29 5.69 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.107 2.538 . . . . 0.0 112.935 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.42 -39.14 92.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.556 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -63.13 -45.35 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.264 0.554 . . . . 0.0 110.445 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.05 -35.51 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.14 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -58.61 -42.12 87.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.95 86.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.998 0.428 . . . . 0.0 110.393 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 mt -68.55 -32.42 72.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -48.14 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.73 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.931 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -51.65 -39.83 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.742 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -70.3 -45.17 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.39 -37.83 87.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.242 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -71.52 -39.72 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.348 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 5.5 p -69.71 -30.5 68.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.441 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -64.64 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -44.65 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.204 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 72.1 tt0 -55.02 -56.91 14.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.067 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 HD12 ' A' ' 44' ' ' ILE . 40.1 mt -56.11 -45.94 80.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.84 70.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.202 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.304 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -68.4 -79.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.37 163.83 12.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -161.32 165.8 28.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.053 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.03 -86.66 0.1 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.36 17.09 59.04 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.69 118.96 2.74 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 10.3 m -72.75 173.0 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 5.7 tt -50.72 -46.99 59.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -62.85 -43.93 97.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -64.12 -52.31 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.427 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.5 pttt -67.69 -32.29 72.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.3 m -68.22 -46.38 70.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 0.0 110.701 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 m -65.81 -32.14 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -61.08 -43.44 98.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.765 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.2 -45.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.607 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.0 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.215 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -79.06 -23.45 44.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.055 0.455 . . . . 0.0 110.806 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.453 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 24.4 mmt -75.15 -47.65 27.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.283 176.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -63.83 -38.31 90.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.626 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.571 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.8 OUTLIER -76.7 -21.8 54.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.397 -178.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.45 -38.32 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.994 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.6 m-85 -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 110.856 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.38 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.144 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.4 mm-40 -84.63 -43.33 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.862 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -78.94 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 111.744 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.3 p -95.5 -45.99 6.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.981 0.419 . . . . 0.0 111.114 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.61 1.69 27.49 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.4 p -138.84 148.32 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.1 125.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.097 0.475 . . . . 0.0 110.91 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.42 108.72 15.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.592 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.3 tt0 -61.65 -41.24 76.94 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 87.8 Cg_exo -44.05 -41.66 12.59 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.471 2.114 . . . . 0.0 113.011 174.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 120' ' ' ILE . 87.6 t80 -63.65 -46.29 86.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.46 -33.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.832 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.63 -27.93 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.766 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -86.19 -30.89 22.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.0 mm -59.13 -39.38 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.226 -178.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.4 p -63.99 -34.43 77.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -72.65 -27.77 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.958 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.72 -50.61 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.529 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.3 t -62.03 -35.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.41 0.624 . . . . 0.0 110.021 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -69.56 -45.62 68.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.518 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.96 -38.62 83.0 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.28 -19.27 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.648 0.261 . . . . 0.0 111.377 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.85 94.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.275 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.8 mp0 -78.51 -26.55 45.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.724 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.68 -58.19 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.486 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.96 70.2 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 113.085 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -78.71 7.55 6.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 111.072 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.309 -1.19 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.89 177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.22 -25.11 57.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.122 1.881 . . . . 0.0 111.912 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' TRP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 16' ' ' ALA . 15.3 p90 -97.1 17.51 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.544 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.41 HG23 HD22 ' B' ' 12' ' ' ASN . 14.9 t -72.41 -16.7 61.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . 0.41 HD22 HG23 ' B' ' 11' ' ' THR . 11.0 p30 -151.84 148.6 21.99 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.62 48.67 2.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.403 2.735 . . . . 0.0 112.878 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.54 -41.2 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -76.21 -37.71 57.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.683 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' B' ' 10' ' ' TRP . . . -53.88 -41.6 67.72 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -174.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -13.47 61.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -72.04 -22.18 61.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 110.416 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -63.36 -50.07 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.545 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 20' ' ' MET . 1.9 mpt? -58.83 -45.45 89.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.531 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 52.8 m-80 -61.61 -50.97 70.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -62.08 -38.95 90.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.931 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.66 -49.81 75.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.7 mt-30 -63.71 -46.81 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.478 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.12 -39.17 63.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' B' ' 33' ' ' PHE . 28.9 tp -66.94 -31.32 71.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.804 0.335 . . . . 0.0 111.249 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -5.17 37.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 110.826 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -105.79 14.87 27.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.323 0.582 . . . . 0.0 109.685 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.2 mmt -102.73 144.33 28.4 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.743 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -23.49 24.23 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.013 2.475 . . . . 0.0 112.889 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . 0.487 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -66.43 -32.23 81.18 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.374 -176.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' B' ' 27' ' ' LEU . 74.8 m-85 -107.9 138.03 44.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 0.0 111.497 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.54 HG23 ' HA3' ' B' ' 86' ' ' GLY . 6.5 p -87.77 159.15 18.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.854 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -12.75 14.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.8 p -105.47 -16.37 14.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.43 0.633 . . . . 0.0 109.814 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.414 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 24.0 tp60 -77.83 -29.17 50.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.084 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.77 -23.74 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.711 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.08 -39.19 88.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.25 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -72.39 -37.32 68.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.448 ' HB2' ' CE ' ' B' ' 77' ' ' MET . 6.7 ptm -87.7 -21.44 25.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.4 t -65.38 -28.89 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.0 m -59.05 -45.25 91.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.427 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mt -71.94 -33.26 47.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.684 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.28 -55.93 15.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.36 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -63.6 -34.36 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.194 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 36.7 m -61.62 -42.56 99.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.882 0.372 . . . . 0.0 110.635 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.3 mmm -73.56 -38.25 65.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.3 t -59.06 -57.09 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.772 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.99 -30.92 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.465 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 32.2 t -60.15 -45.38 93.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.048 0.451 . . . . 0.0 110.176 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.89 -43.03 98.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.641 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 4.5 mm100 -62.29 -39.13 91.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.618 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -66.94 -36.73 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.963 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.14 -36.21 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.976 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.78 81.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.54 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.44 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.03 -14.96 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 49.45 5.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.617 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 73.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -116.03 131.75 56.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' B' ' 65' ' ' LYS . 11.5 m -154.83 154.99 29.92 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.73 -45.77 34.36 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.83 2.353 . . . . 0.0 111.972 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -81.0 0.95 33.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.349 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 7.0 tppt? -98.7 -40.17 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.47 -25.76 45.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.053 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.3 tt0 -58.07 -44.6 87.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.807 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.27 -3.43 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' B' ' 10' ' ' TRP . 1.0 OUTLIER -90.91 -48.93 6.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.29 -40.76 90.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.07 -43.72 78.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.784 0.326 . . . . 0.0 110.659 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' B' ' 48' ' ' MET . 58.8 t80 -64.56 -46.89 80.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.287 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.37 -35.7 78.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -69.87 -41.63 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.235 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.686 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 74.6 p -73.54 -3.8 30.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.613 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.7 mmt -103.03 -6.84 21.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.89 -52.02 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.795 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -70.82 -32.28 69.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.96 -175.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mt -58.36 -47.46 87.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' B' ' 97' ' ' ILE . . . -75.34 -38.61 60.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.391 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.82 63.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -79.22 -62.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -79.14 148.82 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.004 0.43 . . . . 0.0 111.726 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -158.96 157.86 32.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.057 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . 0.54 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -127.17 -87.94 0.62 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.509 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.85 -19.27 44.24 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.338 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . 0.487 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -108.57 151.1 17.08 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.2 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 16.2 m -92.64 -172.88 3.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.477 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.9 tp -57.64 -35.76 70.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.781 0.325 . . . . 0.0 110.99 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p -80.4 -2.8 47.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -107.42 -53.31 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.113 0.482 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 50.5 pttt -65.48 -30.67 71.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.753 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 35.8 m -64.94 -45.32 86.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.776 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -67.47 -30.73 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 0.0 110.284 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.597 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' B' ' 81' ' ' ALA . 62.8 mt -65.91 -43.01 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.66 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.67 -48.46 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -67.79 -42.57 81.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . 0.532 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -63.47 -33.74 76.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.025 0.44 . . . . 0.0 111.164 -179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.86 -46.43 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.436 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.4 p -67.33 -32.53 73.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.046 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 0.9 OUTLIER -81.17 -23.21 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.301 -178.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.23 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.5 m-85 -63.95 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.49 -10.69 59.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 65.3 mm-40 -96.51 -19.81 18.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.334 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.88 -70.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.6 p -92.82 -34.13 13.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.168 0.508 . . . . 0.0 111.058 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 5.38 49.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.6 p -136.91 147.59 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.899 -0.65 . . . . 0.0 109.45 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.93 125.72 73.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.224 0.535 . . . . 0.0 110.839 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.84 120.96 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.814 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 9.4 tt0 -58.87 -50.29 88.79 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.04 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 52.6 Cg_endo -68.98 15.95 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.473 2.115 . . . . 0.0 113.51 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' PHE . . . . . 0.623 ' O ' HG12 ' B' ' 120' ' ' ILE . 42.7 t80 -106.96 -52.39 2.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 169.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.48 -36.42 77.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.053 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.459 ' OD1' ' HA ' ' B' ' 115' ' ' PRO . 33.5 p-10 -67.34 -31.9 72.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.21 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.499 ' HA ' HE21 ' B' ' 122' ' ' GLN . 38.2 mm-40 -79.41 -32.5 42.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.745 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.2 mm -62.45 -43.5 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.191 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -63.67 -33.94 76.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.499 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.499 HE21 ' HA ' ' B' ' 119' ' ' GLU . 18.9 mt-30 -72.06 -32.28 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.706 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.47 -50.46 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.404 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 120' ' ' ILE . 39.4 t -57.61 -41.77 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 4.1 p -73.86 -37.19 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.024 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -72.68 -31.59 65.17 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -73.17 0.27 12.2 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 120.688 0.28 . . . . 0.0 111.458 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.01 -41.81 25.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.212 0.529 . . . . 0.0 110.056 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -77.36 -15.59 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.12 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.55 81.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.89 -26.07 4.99 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.554 173.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -77.03 -5.63 49.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.499 0.666 . . . . 0.0 111.261 -176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' ASN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.067 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -94.47 179.11 5.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.739 0.269 . . . . 0.0 110.773 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.12 174.3 54.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.693 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 69.87 82.36 0.16 Allowed 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 123.2 0.6 . . . . 0.0 110.76 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -97.42 160.58 14.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.079 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -105.68 179.99 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.972 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -60.89 141.82 56.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.391 0.615 . . . . 0.0 110.956 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 11' ' ' THR . 1.7 p -153.08 158.07 32.91 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.578 -177.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HG3' ' CE1' ' A' ' 105' ' ' PHE . 57.4 Cg_endo -71.63 0.44 6.96 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.23 1.954 . . . . 0.0 112.623 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 p90 -130.12 18.45 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 111.127 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.435 HG23 HD22 ' A' ' 12' ' ' ASN . 13.9 t -76.87 -15.21 59.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.435 HD22 HG23 ' A' ' 11' ' ' THR . 12.1 p30 -153.35 152.4 27.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.5 Cg_exo -53.09 -36.01 74.84 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.921 2.414 . . . . 0.0 112.883 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.34 -56.56 23.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.55 -30.49 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.532 -0.393 . . . . 0.0 110.76 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.39 -46.11 90.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 9.8 pt-20 -75.62 -28.74 58.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.908 0.385 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.6 -22.32 60.06 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.032 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -55.62 -55.64 29.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.391 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -27.42 60.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.327 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -67.68 -47.11 70.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 p -78.45 -9.51 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.068 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -85.52 -50.97 6.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.019 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 76.0 mmm -59.05 -35.43 73.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.67 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -64.57 -29.98 71.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.14 -37.85 6.58 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.878 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -66.44 -26.78 67.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -66.52 -12.09 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 t -112.98 16.33 19.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.905 0.383 . . . . 0.0 110.434 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -94.03 139.61 22.65 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.566 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.94 -27.84 25.12 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.095 2.53 . . . . 0.0 113.512 -174.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.17 -1.19 87.72 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.675 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.55 154.14 32.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.692 0.758 . . . . 0.0 112.738 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 21.4 p -115.82 162.76 16.84 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.542 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.68 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 0.0 110.715 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -55.47 -47.27 76.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.538 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.644 ' O ' ' HG2' ' A' ' 41' ' ' MET . 49.3 mt-30 -67.54 -46.17 73.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 34' ' ' THR . 96.5 mt -57.63 -38.76 75.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.84 -175.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.86 -43.34 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.263 0.554 . . . . 0.0 110.899 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 3.5 t70 -69.47 -45.45 68.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.751 -176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.644 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 8.3 ptp -74.58 -30.06 61.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.0 p -66.96 -28.88 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.263 0.554 . . . . 0.0 109.525 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.9 m -64.56 -44.94 89.16 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.957 174.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 HD11 ' A' ' 80' ' ' ILE . 48.5 mt -68.47 -33.81 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.686 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.33 -49.76 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -74.95 -17.83 60.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.844 0.354 . . . . 0.0 111.279 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.479 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 51.0 m -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.906 0.384 . . . . 0.0 110.433 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 52' ' ' ILE . 95.1 mmm -68.23 -45.8 72.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.761 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 46' ' ' GLN . 22.0 m -65.22 -37.77 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.75 0.309 . . . . 0.0 110.833 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -67.0 -30.3 70.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.574 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.6 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 47.2 t -69.47 -43.05 74.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 0.0 110.146 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 48' ' ' MET . 80.4 mt -62.84 -51.01 77.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 10.0 pt20 -63.73 -31.29 72.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.19 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 66.2 m -63.52 -45.3 91.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.116 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.1 -36.36 83.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.23 86.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.78 73.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.631 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 26.9 mt-30 -78.99 -20.46 49.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.04 177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.12 30.14 43.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.164 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 42.4 mtp180 -109.66 6.64 23.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.051 0.453 . . . . 0.0 110.488 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.68 123.54 25.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.25 0.547 . . . . 0.0 111.863 -176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 p -144.77 155.34 56.17 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.46 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.21 -33.03 62.94 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.175 2.583 . . . . 0.0 113.195 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.9 -54.64 31.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.582 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD3' HG21 ' B' ' 43' ' ' THR . 55.0 mttm -65.45 -36.8 84.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.901 -177.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.4 -35.84 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.395 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.614 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -67.71 -42.95 81.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 176.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.81 93.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.764 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -69.23 -31.22 69.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -45.5 93.23 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 95.6 mmm -70.78 -39.17 73.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.754 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -54.47 -39.49 67.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' ' HG2' ' A' ' 77' ' ' MET . 84.4 t80 -71.54 -46.67 58.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 177.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.63 78.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.014 0.435 . . . . 0.0 111.272 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -73.95 -39.85 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.065 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.466 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 7.7 p -69.72 -36.43 75.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.788 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.5 mmt -64.2 -40.58 96.37 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.71 -44.5 93.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.192 175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 75.0 tt0 -55.07 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.283 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.51 HD11 HD12 ' A' ' 44' ' ' ILE . 37.1 mt -49.21 -45.55 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 O-C-N 123.519 0.512 . . . . 0.0 111.58 -178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -46.29 63.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.022 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 127' ' ' PHE . . . -61.23 -32.52 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.024 -177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 44.9 m -55.28 -68.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.253 0.346 . . . . 0.0 110.711 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 83' ' ' SER . 12.6 mt-10 -167.55 133.31 2.04 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.778 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 0.4 OUTLIER -91.36 -32.46 15.66 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.394 1.092 . . . . 0.0 110.478 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.45 -52.16 3.71 Favored Glycine 0 C--N 1.294 -1.786 0 CA-C-N 113.382 -1.735 . . . . 0.0 112.435 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.11 51.75 0.85 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.173 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.31 -134.44 2.17 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.237 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 48.0 t -155.81 151.45 27.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.511 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 46.1 tp -54.83 -42.25 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.647 0.592 . . . . 0.0 111.554 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 p -80.46 -43.43 20.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.423 -177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -58.91 -42.53 89.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.946 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 90' ' ' LEU . 19.2 pttp -68.32 -36.63 79.58 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.806 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -65.14 -42.48 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 110.474 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.7 t -65.32 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.286 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 62.3 m -59.58 -48.11 82.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.846 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.8 mt -64.1 -45.7 95.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.861 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -47.59 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 111.23 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -66.43 -38.9 88.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.826 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.52 -32.57 68.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.261 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.415 ' O ' ' HD2' ' A' ' 105' ' ' PHE . 21.7 mmt -63.43 -50.25 70.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.987 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -56.92 -35.59 69.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.401 0.62 . . . . 0.0 109.797 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.633 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.3 t30 -63.05 -45.5 91.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.138 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.46 89.05 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.497 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.458 ' CE1' ' HG3' ' A' ' 9' ' ' PRO . 72.9 m-85 -65.17 -34.73 79.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.91 -15.49 58.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.273 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.4 mm-40 -88.36 -30.35 19.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 p -89.04 -82.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.9 t -84.46 -33.05 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.26 13.85 25.68 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.624 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -149.44 151.0 13.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 114' ' ' GLN . 21.6 t -107.47 136.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 19.2 m120 -63.6 -36.54 84.14 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.898 -0.137 . . . . 0.0 110.928 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.584 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 7.3 tp60 103.77 -64.67 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 125.253 1.421 . . . . 0.0 113.092 175.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 17.3 Cg_exo -66.95 -22.98 47.58 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 121.351 1.518 . . . . 0.0 111.83 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' ' 120' ' ' ILE . 30.6 t80 -53.21 -52.19 59.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.37 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.3 mm -60.9 -38.91 80.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.675 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -63.97 -45.04 90.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.755 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 52.9 mm-40 -65.88 -32.94 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.514 -177.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 116' ' ' PHE . 48.1 mm -63.33 -35.94 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.147 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 49.6 p -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.066 0.46 . . . . 0.0 110.587 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.494 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 10.1 mt-30 -71.33 -43.45 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.294 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.79 -49.1 78.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.088 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 120' ' ' ILE . 4.1 t -68.68 -12.31 15.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.5 m -116.55 4.32 13.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.1 ptm -104.15 -43.66 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.379 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.402 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 38.9 m-85 -65.61 -20.0 66.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -176.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.91 90.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.5 mp0 -74.27 -33.21 63.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.52 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.27 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.91 40.76 99.29 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 113.198 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -85.6 15.84 4.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.858 0.837 . . . . 0.0 110.321 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -42.17 5.66 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.078 -1.419 . . . . 0.0 109.831 178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.15 -57.35 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 0.0 109.414 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.0 m 36.97 33.82 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 O-C-N 124.561 1.163 . . . . 0.0 113.801 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.8 m 55.97 28.6 12.94 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.117 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.493 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -60.08 118.52 6.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.914 0.388 . . . . 0.0 110.47 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.77 -150.91 5.47 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.746 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 54.52 49.43 18.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 0.0 110.23 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -60.3 127.04 29.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.495 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -103.88 -175.52 2.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.13 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.8 t -64.63 144.52 57.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.801 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.453 ' O ' HG22 ' B' ' 11' ' ' THR . 1.6 p -154.22 166.63 15.44 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.863 -177.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.52 2.23 2.09 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.403 2.068 . . . . 0.0 112.619 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -139.73 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.447 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 8' ' ' THR . 8.8 t -77.85 -22.41 49.92 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.055 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.97 152.8 37.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -50.18 -35.78 43.98 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 123.486 2.791 . . . . 0.0 113.352 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.27 -50.04 71.22 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.818 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.86 -30.08 65.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.76 0.314 . . . . 0.0 110.581 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.89 67.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.69 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.556 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 12.2 pt-20 -68.81 -33.08 73.24 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.11 0.481 . . . . 0.0 110.639 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -63.38 -27.03 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.68 -59.48 4.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.612 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.556 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.7 OUTLIER -71.65 -26.94 62.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.397 -174.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 22.7 m-80 -65.69 -52.34 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.665 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 44.5 p -68.67 -29.74 68.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 0.0 111.015 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -59.0 -49.91 76.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 20' ' ' MET . 81.9 mmm -62.55 -36.14 81.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 86.8 mt-30 -60.7 -42.79 97.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.397 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.2 -37.14 29.23 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.451 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.457 HD11 ' CE1' ' B' ' 33' ' ' PHE . 34.6 tp -66.49 -31.46 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -177.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.5 t -67.12 -9.24 37.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.259 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.4 t -109.78 16.48 22.02 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.121 0.486 . . . . 0.0 110.068 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -101.17 134.19 20.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.56 -23.47 36.95 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.187 2.591 . . . . 0.0 113.037 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.55 -7.11 87.15 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.072 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' B' ' 27' ' ' LEU . 29.0 m-85 -116.77 159.14 22.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.531 0.681 . . . . 0.0 112.15 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.1 p -124.42 169.1 12.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.447 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.25 83.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.93 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.0 m -60.09 -43.44 95.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.675 ' O ' ' HG3' ' B' ' 41' ' ' MET . 50.7 mt-30 -66.54 -53.98 28.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.443 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.75 -35.3 66.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.684 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.25 -45.4 94.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.016 0.436 . . . . 0.0 110.882 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -79.56 -44.88 20.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.258 -174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.675 ' HG3' ' O ' ' B' ' 37' ' ' GLN . 36.5 mtp -65.42 -34.04 77.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.972 -174.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.9 m -67.18 -14.86 63.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.555 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 13.2 m -73.22 -42.31 62.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -66.74 -37.38 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.834 177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.89 -48.43 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.274 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.8 OUTLIER -76.6 -18.99 58.32 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.314 -178.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.6 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 68.3 m -72.76 -43.35 62.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.999 0.428 . . . . 0.0 110.408 176.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' B' ' 52' ' ' ILE . 85.4 mmm -66.65 -46.37 75.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.598 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 23.7 m -62.64 -37.75 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.654 0.264 . . . . 0.0 111.096 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 8.2 t -73.98 -41.67 61.6 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 48' ' ' MET . 85.2 mt -61.86 -47.52 92.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.4 pt20 -67.26 -29.42 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.235 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -66.13 -38.85 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.09 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.505 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.41 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.791 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.79 65.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 110.783 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -94.13 -6.99 43.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.478 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.58 24.74 76.62 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.767 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -104.99 24.96 11.12 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.03 125.06 34.84 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.224 0.535 . . . . 0.0 111.66 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 43.3 m -143.79 155.15 59.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.543 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 17.3 Cg_endo -52.93 -44.19 50.61 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.46 2.773 . . . . 0.0 112.911 -175.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -69.99 -41.06 74.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.6 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.486 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 56.5 mttm -66.21 -35.29 80.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.178 0.513 . . . . 0.0 110.673 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.14 -32.08 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.33 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -66.78 -42.92 85.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.047 174.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -63.79 -24.69 67.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 69' ' ' LEU . 30.8 mt -94.91 3.76 54.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.216 0.531 . . . . 0.0 110.195 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -94.57 -51.5 4.72 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.0 mmm -69.95 -34.6 73.62 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.277 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.411 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -63.58 -48.97 75.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.586 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.517 -178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -76.62 -35.22 58.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.213 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.632 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 57.8 p -81.0 4.99 17.73 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.421 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 21.7 mmt -106.7 -11.87 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.315 0.578 . . . . 0.0 109.781 172.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 -44.58 12.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.63 -174.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.632 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -72.75 -32.35 65.59 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.853 -176.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.515 HG21 ' HG2' ' B' ' 41' ' ' MET . 4.0 mt -55.17 -50.31 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.02 57.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -42.66 70.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.869 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -67.7 -68.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -139.5 114.57 9.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.983 0.421 . . . . 0.0 111.253 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' B' ' 85' ' ' GLU . 0.0 OUTLIER -97.16 -30.14 13.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.513 1.149 . . . . 0.0 109.654 177.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.56 -53.22 4.06 Favored Glycine 0 C--N 1.298 -1.566 0 CA-C-N 113.313 -1.767 . . . . 0.0 112.483 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.27 55.84 0.72 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.171 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.73 -155.21 7.0 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.086 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 38.9 t -141.29 166.5 24.59 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.549 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 0.3 OUTLIER -56.38 -49.25 74.99 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.584 0.552 . . . . 0.0 110.141 -177.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 7.1 p -70.92 -45.26 64.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.206 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -56.77 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.3 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 54.9 pttt -69.5 -29.3 66.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.119 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 60.0 m -67.11 -43.8 81.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 32.6 t -67.84 -37.08 81.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.54 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 71.1 m -59.98 -48.5 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.522 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.85 -46.23 96.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.63 0.252 . . . . 0.0 110.669 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.33 85.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.6 t -64.32 -41.64 96.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.577 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.61 -39.11 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.262 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -60.52 -43.26 97.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.237 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -55.06 -51.83 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -54.47 -41.38 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.888 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.08 -27.66 65.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.032 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.531 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 46.2 m-85 -73.43 -31.43 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.23 0.538 . . . . 0.0 110.619 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.7 -21.04 45.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.285 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.0 mm-40 -84.01 -25.04 30.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.58 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.0 p -91.52 -66.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.429 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 4.9 t -105.89 -26.59 11.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.664 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 16.33 23.09 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.485 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.4 p -159.77 152.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.95 128.59 51.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.586 0.231 . . . . 0.0 110.421 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.645 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 0.2 OUTLIER -57.71 -41.67 82.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 103.99 -67.72 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.93 0 C-N-CA 125.476 1.51 . . . . 0.0 112.913 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.645 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 11.1 Cg_endo -53.8 -31.87 63.78 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.231 1.954 . . . . 0.0 112.72 -177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.624 ' O ' HG12 ' B' ' 120' ' ' ILE . 49.0 t80 -53.98 -55.39 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.3 -37.24 78.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.219 0.533 . . . . 0.0 110.959 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -67.32 -28.26 67.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.041 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -89.74 -22.62 22.1 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.045 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.624 HG12 ' O ' ' B' ' 116' ' ' PHE . 46.2 mm -65.95 -37.64 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 110.68 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 17.6 p -62.22 -33.31 74.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.132 0.491 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -69.61 -37.54 76.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.61 -49.06 79.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.079 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.76 -38.07 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.037 0.446 . . . . 0.0 110.966 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 17.0 t -81.81 -11.51 58.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.663 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -98.93 -36.64 9.69 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.114 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -66.91 -16.23 64.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.684 0.278 . . . . 0.0 111.691 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.2 90.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.538 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.431 ' HB2' HE21 ' B' ' 129' ' ' GLN . 1.6 mp0 -88.29 -7.58 56.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.075 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.436 ' HA ' ' HG3' ' A' ' 119' ' ' GLU . . . -53.64 -43.99 69.21 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.345 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 78.17 -18.16 5.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.916 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -78.77 5.27 11.69 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.777 0.798 . . . . 0.0 111.207 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.614 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -96.49 -26.35 15.32 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.183 -1.371 . . . . 0.0 109.516 175.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.6 -45.57 7.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.575 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 33.0 m 41.72 30.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 124.641 1.213 . . . . 0.0 113.954 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 50.3 m 54.56 34.4 21.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.865 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.572 179.51 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -93.33 108.15 19.85 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.8 57.19 0.45 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.287 -0.958 . . . . 0.0 113.017 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -84.16 106.97 16.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.043 0.449 . . . . 0.0 110.138 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -94.55 160.24 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.657 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -89.76 163.0 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.4 t -115.2 156.87 24.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.998 0.428 . . . . 0.0 110.714 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -134.77 160.7 67.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.443 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.45 -3.61 11.33 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.72 2.28 . . . . 0.0 112.6 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -127.86 23.0 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' A' ' 12' ' ' ASN . 12.7 t -74.41 -11.57 60.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.419 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' A' ' 11' ' ' THR . 11.0 p30 -151.89 153.12 31.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.74 -30.2 83.48 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.084 2.522 . . . . 0.0 112.726 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.49 -55.52 29.54 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.217 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.48 -28.95 68.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.794 0.33 . . . . 0.0 110.776 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.57 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -74.48 -30.9 62.02 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.229 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.421 ' HA ' HD21 ' A' ' 21' ' ' ASN . 3.9 m-80 -54.41 -46.64 73.21 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.761 175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -57.02 -40.02 75.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.367 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.6 mtt -71.91 -50.28 30.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.639 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.421 HD21 ' HA ' ' A' ' 18' ' ' ASN . 11.8 p30 -69.47 -27.81 65.54 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.775 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 59.3 m -69.49 -25.69 64.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.964 0.411 . . . . 0.0 110.789 175.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.87 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -33.53 74.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.766 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 18.8 pt20 -68.52 -21.16 64.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -178.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.8 -28.15 8.0 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.654 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 33' ' ' PHE . 37.4 tp -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.091 0.472 . . . . 0.0 110.303 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 38' ' ' LEU . 35.0 p -68.26 -16.52 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.641 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.9 m -103.62 10.89 36.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -91.4 139.92 25.4 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.916 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.29 -21.78 40.94 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.138 2.559 . . . . 0.0 112.99 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.88 76.51 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.678 -0.692 . . . . 0.0 113.377 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 27' ' ' LEU . 77.9 m-85 -115.4 169.28 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 111.603 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -119.64 152.33 37.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.775 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.26 -30.54 66.65 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -177.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -71.37 -48.75 48.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -78.04 -18.28 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 0.0 111.118 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 28' ' ' SER . 57.3 mt -69.64 -24.48 63.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.763 176.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.02 -42.29 84.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.596 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.45 -42.36 92.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.942 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.552 ' HG2' HG21 ' A' ' 80' ' ' ILE . 30.6 mtp -68.58 -41.14 80.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.101 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.6 t -60.25 -29.9 69.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.779 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 16.7 m -61.54 -42.38 98.74 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.863 0.364 . . . . 0.0 110.163 177.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mt -66.44 -37.72 80.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.304 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.65 75.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.866 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.9 OUTLIER -74.1 -15.63 61.05 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.436 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.3 m -79.19 -41.53 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.984 0.421 . . . . 0.0 110.201 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 95.0 mmm -65.87 -44.0 86.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.624 -177.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 33.4 m -66.55 -38.55 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.115 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.0 -38.74 82.99 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 121.251 -0.18 . . . . 0.0 110.712 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.648 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.2 t -58.15 -53.73 54.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.05 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.78 -51.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 48.3 mt-30 -61.65 -38.53 88.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.256 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.4 m -73.31 -32.54 64.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.856 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 51' ' ' SER . 75.3 mt -69.26 -34.82 75.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.411 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.56 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.971 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -39.18 78.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.678 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -77.64 -41.84 36.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.61 52.36 0.67 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.24 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -131.25 19.17 4.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.33 0.586 . . . . 0.0 110.049 173.513 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 162.01 15.85 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.683 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.484 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 31.2 t -170.79 149.95 2.99 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.9 -34.9 78.09 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.269 1.979 . . . . 0.0 111.452 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -75.63 -31.28 59.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.164 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 62' ' ' SER . 9.5 tppt? -72.88 -39.97 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.984 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 62' ' ' SER . 69.6 mt -65.95 -29.99 70.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.765 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 52.4 tt0 -58.56 -51.2 70.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.801 176.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -61.16 -30.51 70.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.324 0.583 . . . . 0.0 111.068 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 65' ' ' LYS . 3.9 mm? -70.43 -18.22 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.873 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -73.6 -56.3 5.19 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.7 mmm -65.66 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.04 -34.36 71.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.991 0.424 . . . . 0.0 111.161 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.464 ' N ' ' HE2' ' A' ' 48' ' ' MET . 60.3 t80 -79.02 -44.98 21.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.292 0.568 . . . . 0.0 110.265 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.45 -33.87 75.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.963 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -74.96 -44.7 46.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.485 -177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.5 p -65.29 -33.03 75.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.876 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 29.7 mmt -64.22 -38.72 92.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.406 175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.35 -37.78 83.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' OE1' ' HB2' ' B' ' 71' ' ' MET . 44.2 tt0 -57.71 -52.32 65.92 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.659 177.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.552 HG21 ' HG2' ' A' ' 41' ' ' MET . 9.6 mt -64.64 -42.94 96.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 -179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.56 -48.63 80.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.602 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.98 -36.41 70.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.234 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 m -85.0 -50.04 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.807 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -92.49 134.96 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.576 0.703 . . . . 0.0 112.18 -172.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.77 149.22 23.35 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.045 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -153.48 32.24 0.77 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.343 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 171.32 -47.48 0.19 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.46 159.66 23.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.961 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.4 p -95.87 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.619 0.209 . . . . 0.0 110.573 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.62 -36.73 72.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.6 p -74.94 -40.55 60.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.106 0.479 . . . . 0.0 110.559 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -63.39 -47.94 79.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.357 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.58 -38.37 89.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.781 0.324 . . . . 0.0 110.833 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.6 m -65.68 -47.77 74.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.5 t -66.28 -32.73 74.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.594 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -59.86 -48.27 82.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.3 mt -68.32 -40.84 83.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.624 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.12 78.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.259 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 t -67.07 -43.1 83.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.612 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -67.21 -35.09 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.716 -178.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -66.37 -36.0 81.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.164 0.507 . . . . 0.0 110.187 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m -68.49 -39.88 81.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.171 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.612 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.1 p-10 -75.34 -20.15 59.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.561 -175.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.49 75.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.797 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 39.2 m-85 -65.93 -28.55 69.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 111.291 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.78 -7.06 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.309 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -98.06 -46.39 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 p -74.1 -59.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.615 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.2 p -101.48 -55.0 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.895 0.378 . . . . 0.0 111.103 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.12 6.14 8.46 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.99 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 10.7 p -141.02 147.84 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 t -104.36 141.87 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 27.1 t-20 -100.68 123.51 44.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 176.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -62.51 -60.61 9.48 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -174.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 4.7 Cg_endo -49.1 -42.2 39.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.17 1.913 . . . . 0.0 112.631 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.597 ' O ' HG12 ' A' ' 120' ' ' ILE . 40.4 t80 -56.1 -56.25 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.731 0.3 . . . . 0.0 110.61 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.18 -42.16 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.8 -37.15 81.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.303 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 39.4 mm-40 -62.72 -38.14 89.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -59.85 -40.13 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.975 -177.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.6 p -67.34 -31.9 72.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.937 0.399 . . . . 0.0 110.889 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -71.97 -33.86 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.21 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.26 -48.46 81.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.441 176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.39 -38.55 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.285 0.564 . . . . 0.0 110.22 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.7 t -65.69 -47.33 75.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.158 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.401 ' HB2' ' HE3' ' A' ' 126' ' ' MET . 26.3 ptm -69.69 -45.06 69.14 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -64.12 -23.65 67.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 111.33 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.58 -27.98 64.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.149 0.499 . . . . 0.0 110.843 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.463 HE21 ' HB2' ' A' ' 129' ' ' GLN . 3.1 mt-30 -93.71 -27.68 16.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.764 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.16 -60.64 3.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.986 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.86 89.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 113.562 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -79.72 8.37 6.78 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.945 0.878 . . . . 0.0 110.95 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.477 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -102.24 -36.22 8.58 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.443 178.279 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.95 -49.56 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.16 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.1 m 37.71 34.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 124.544 1.152 . . . . 0.0 113.604 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.0 p 50.14 33.19 6.75 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.917 0.887 . . . . 0.0 112.31 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.384 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -76.49 119.72 20.73 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.22 -150.63 5.32 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.092 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.442 ' N ' HD22 ' B' ' 4' ' ' ASN . 0.9 OUTLIER 67.46 40.27 2.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.794 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -61.97 136.86 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.86 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -79.32 167.8 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.666 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.4 t -91.05 151.57 20.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.356 0.598 . . . . 0.0 111.493 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.585 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 16.9 p -135.71 156.81 77.2 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.443 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 35.8 Cg_endo -67.37 1.92 2.69 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.186 1.924 . . . . 0.0 112.995 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 9.8 p90 -134.77 10.93 3.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.585 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.8 t -76.72 -24.36 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.188 0.518 . . . . 0.0 110.438 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.414 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -141.8 150.6 57.23 Favored Pre-proline 0 C--N 1.326 -0.413 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.57 -31.68 92.32 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.754 2.303 . . . . 0.0 112.829 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.77 -36.63 93.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.912 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 18' ' ' ASN . 75.1 mt -84.72 -32.01 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.482 -0.422 . . . . 0.0 110.74 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.25 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.328 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -22.74 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.435 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.475 ' HB2' ' HA ' ' B' ' 15' ' ' LEU . 0.5 OUTLIER -63.57 -44.6 93.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.668 177.431 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -54.22 -38.88 66.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.882 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 16.0 mmt -62.18 -60.0 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.117 -175.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.479 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.4 p30 -68.27 -30.5 69.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.272 -175.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -65.15 -38.0 89.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -63.02 -49.28 75.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.666 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 80.7 mmm -60.69 -36.71 79.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.392 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 81.1 mt-30 -57.11 -55.2 37.86 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.989 0.423 . . . . 0.0 110.417 176.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.09 91.1 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.388 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.37 -32.26 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.684 0.278 . . . . 0.0 110.831 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -69.72 -6.41 31.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.646 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -112.66 9.69 19.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.083 0.468 . . . . 0.0 110.597 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -92.75 144.46 28.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.731 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.55 -15.06 14.04 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.926 2.418 . . . . 0.0 113.045 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -74.37 -25.24 71.07 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.522 -176.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -122.08 152.77 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.985 0.422 . . . . 0.0 111.164 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 86' ' ' GLY . 17.6 p -102.79 169.8 8.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.513 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.21 96.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.5 t -62.83 -35.18 79.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' B' ' 41' ' ' MET . 25.6 mm-40 -62.2 -52.06 65.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.887 0.375 . . . . 0.0 111.248 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.81 -27.61 69.0 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -63.1 -25.34 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.897 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.5 -35.9 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.662 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.527 ' HG2' HG21 ' B' ' 80' ' ' ILE . 43.6 mtp -72.99 -37.54 66.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.642 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.6 p -59.06 -24.54 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m -59.24 -39.94 84.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 48' ' ' MET . 60.8 mt -72.99 -35.59 49.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 109.873 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.94 89.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 176.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.34 -18.4 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.872 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.448 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 59.4 p -83.31 -34.76 25.64 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.459 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 86.4 mmm -65.4 -43.61 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.112 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 31.7 m -68.49 -38.03 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.852 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -65.35 -39.32 92.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 23.2 t -60.02 -53.19 60.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.956 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 85.7 mt -55.21 -46.62 77.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.366 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.11 -40.85 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.001 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -70.21 -32.24 70.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' B' ' 51' ' ' SER . 78.3 mt -68.71 -37.3 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.32 -41.12 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -27.6 63.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.465 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 44.2 mt-30 -96.6 -3.27 43.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.709 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.1 51.21 14.7 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.616 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.556 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -133.41 20.22 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.217 0.532 . . . . 0.0 110.387 172.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.3 149.93 31.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.121 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -171.15 151.72 3.24 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -52.86 -39.96 76.55 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.613 2.209 . . . . 0.0 111.034 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.4 -48.38 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.161 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -41.46 96.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.888 -176.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -69.72 -36.3 75.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.489 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 63.0 tt0 -65.27 -47.21 77.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.41 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.9 -22.92 65.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.267 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 mt -87.83 -5.71 58.48 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' B' ' 70' ' ' ASN . 1.2 t-20 -76.87 -46.16 25.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.432 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 96.5 mmm -77.87 -34.32 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.74 -26.99 64.51 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.189 0.519 . . . . 0.0 111.132 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.11 -45.15 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.233 0.54 . . . . 0.0 110.155 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -64.46 -34.91 79.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.683 -178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.8 p -71.45 -45.56 62.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.035 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.423 ' HB2' HD13 ' B' ' 44' ' ' ILE . 12.3 p -67.04 -35.22 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.414 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.5 mmt -64.95 -38.83 92.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 110.467 175.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.07 83.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.469 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.596 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 88.8 tt0 -58.12 -52.57 65.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' B' ' 41' ' ' MET . 8.7 mt -62.49 -39.02 82.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.141 0.496 . . . . 0.0 110.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 -39.55 86.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.299 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.37 67.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.863 0.363 . . . . 0.0 110.641 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' B' ' 133' ' ' ASN . 48.0 m -70.09 -64.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.525 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -120.99 -178.73 3.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.212 0.529 . . . . 0.0 111.537 -175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.429 ' HB3' ' HE2' ' B' ' 93' ' ' LYS . 6.0 pt-20 -158.66 150.12 20.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.102 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.421 ' O ' HG23 ' B' ' 34' ' ' THR . . . -128.36 72.57 0.47 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.644 -174.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.47 -32.2 7.79 Favored Glycine 0 CA--C 1.499 -0.94 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -100.22 156.51 19.55 Favored Glycine 0 N--CA 1.434 -1.448 0 CA-C-N 114.593 -0.804 . . . . 0.0 112.432 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 74.7 p -93.94 -170.25 2.27 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.3 tp -54.83 -38.59 67.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.604 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -67.14 -46.88 72.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.29 0.567 . . . . 0.0 110.317 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.7 m -67.24 -46.08 74.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.518 -174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 85' ' ' GLU . 19.2 ptpt -61.82 -41.05 97.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.0 110.598 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 58.4 m -66.33 -44.11 84.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -62.15 -36.06 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.58 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.8 m -64.37 -49.7 70.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.914 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' B' ' 101' ' ' MET . 59.2 mt -63.22 -46.8 94.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -45.25 82.99 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.653 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 20.1 t -68.52 -39.83 81.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.95 -34.98 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.162 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.2 mmt -64.62 -42.99 95.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.104 176.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 28.9 m -60.46 -34.41 73.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.2 t30 -62.22 -52.84 62.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.543 176.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -33.99 55.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.238 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.1 m-85 -67.08 -37.36 83.84 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.779 0.324 . . . . 0.0 111.29 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.62 -20.64 61.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.289 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 83.8 mm-40 -81.6 -34.65 30.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.079 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 7.5 p -93.71 -64.39 1.09 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.7 p -93.34 -45.13 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.06 0.457 . . . . 0.0 111.381 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.28 4.25 25.53 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.9 p -142.2 149.22 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 44.2 t -100.18 133.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -88.84 105.53 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.109 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 55.3 mt-30 -54.79 -50.99 82.83 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 34.5 Cg_endo -64.55 -0.32 2.92 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 122.075 1.85 . . . . 0.0 113.373 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.489 ' O ' HG12 ' B' ' 120' ' ' ILE . 47.4 t80 -93.14 -52.96 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 173.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.2 -37.67 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.863 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -74.3 -5.73 43.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.194 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -99.99 -28.8 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.844 0.354 . . . . 0.0 110.423 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.489 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -63.52 -34.83 69.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.798 -178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -59.12 -34.99 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.05 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -73.24 -36.55 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.911 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.75 -49.27 78.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.367 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.36 -35.42 66.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.054 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -77.82 -46.06 22.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.475 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.472 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.1 ptm -59.43 -46.64 88.16 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.31 -32.02 73.45 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.699 0.285 . . . . 0.0 110.85 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.16 -35.51 78.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.671 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.8 mt-30 -78.13 -30.11 49.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.604 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.59 98.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.099 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.84 18.86 71.74 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.024 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -80.79 11.33 3.97 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.862 0.839 . . . . 0.0 110.308 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' B' ' 83' ' ' SER . 0.3 OUTLIER -104.73 -26.89 12.1 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.705 176.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.27 -46.63 10.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.464 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.6 m 41.58 25.64 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 21.1 t 48.07 61.66 2.88 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.849 0.46 . . . . 0.0 111.188 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.798 -179.704 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -74.74 86.01 2.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.062 0.458 . . . . 0.0 110.859 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.82 15.21 0.91 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.887 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -111.35 94.79 5.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -89.58 129.51 36.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.307 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 7' ' ' THR . 30.3 m170 -70.38 -43.3 70.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.617 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 6' ' ' HIS . 1.2 t 53.55 10.75 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.807 1.243 . . . . 0.0 112.861 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 11' ' ' THR . 23.4 p -67.23 155.32 90.91 Favored Pre-proline 0 C--N 1.307 -1.256 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.925 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.0 -23.39 43.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.301 2.001 . . . . 0.0 112.306 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -103.61 18.78 21.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.022 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 8' ' ' THR . 10.6 t -82.69 -14.55 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.989 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -153.21 149.26 21.26 Favored Pre-proline 0 C--O 1.233 0.202 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.19 -36.82 97.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.814 2.342 . . . . 0.0 113.086 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -50.63 63.75 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.978 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.0 mt -68.21 -35.5 78.06 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.311 -0.523 . . . . 0.0 110.924 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.65 95.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.343 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.01 -34.56 57.46 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.864 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' ASN . 69.3 m-20 -63.85 -27.61 69.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.667 0.27 . . . . 0.0 111.114 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -59.87 -34.28 72.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.694 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mmt -75.35 -45.83 36.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 109.247 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 75.5 m-20 -61.74 -49.27 77.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.588 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -32.71 72.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' A' ' 27' ' ' LEU . 79.7 t80 -69.61 -50.02 48.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.648 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.9 mmm -61.22 -36.38 79.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.727 -176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.6 mt-30 -59.85 -46.37 89.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.927 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.26 -32.71 46.98 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD22 ' CE2' ' A' ' 23' ' ' PHE . 38.7 tp -68.33 -31.18 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 110.77 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -72.27 2.07 6.63 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.193 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 m -114.85 11.69 16.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.463 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -98.37 141.99 23.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.081 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.94 -27.18 12.43 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.885 2.39 . . . . 0.0 113.159 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.26 -15.45 70.08 Favored Glycine 0 N--CA 1.454 -0.153 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.925 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -116.33 155.48 28.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.215 0.531 . . . . 0.0 111.008 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.8 p -111.84 153.94 25.87 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.913 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.47 -37.56 39.07 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.252 0.345 . . . . 0.0 111.742 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 m -60.09 -42.26 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -69.07 -45.5 70.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.002 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.67 -40.33 68.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.022 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -72.21 -23.51 61.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.156 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -86.2 -43.51 12.94 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.2 ptm -73.28 -22.42 60.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -60.9 -28.99 69.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.514 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.3 m -58.3 -41.47 84.5 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.707 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' A' ' 80' ' ' ILE . 58.2 mt -75.85 -36.52 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.764 0.316 . . . . 0.0 110.192 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.47 -50.54 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.001 176.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -14.4 60.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.61 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.1 m -82.0 -40.41 22.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.74 0.305 . . . . 0.0 110.424 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 83.7 mmm -62.6 -42.35 99.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.45 -38.22 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -69.41 -35.82 76.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.499 0.19 . . . . 0.0 110.919 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.25 -43.35 98.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 0.0 110.292 175.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.88 -49.22 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.379 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -56.52 -39.11 72.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -67.43 -46.76 72.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.84 -33.6 75.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.8 178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.68 89.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.788 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.81 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.791 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.84 -10.86 46.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.089 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.34 28.6 65.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.269 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -107.32 13.26 27.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.019 0.438 . . . . 0.0 110.621 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.9 p -84.68 116.58 23.28 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 m -110.94 157.37 38.83 Favored Pre-proline 0 C--N 1.317 -0.848 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.469 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.57 -43.75 54.98 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -69.77 -36.94 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.298 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 3.4 tppt? -59.59 -50.3 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.479 0.657 . . . . 0.0 110.299 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.58 -32.43 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.893 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -66.09 -43.24 87.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.235 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -44.9 93.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.777 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.62 -10.34 59.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.959 0.409 . . . . 0.0 110.807 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 70' ' ' ASN . 0.4 OUTLIER -76.25 -51.38 12.15 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.663 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 26.0 mtp -82.77 -24.18 33.59 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.991 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.33 -42.32 73.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 0.0 110.056 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.31 -47.18 77.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.387 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.23 83.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.292 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -73.61 -35.89 65.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 32.3 t -65.3 -39.07 92.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.437 0.637 . . . . 0.0 110.646 177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.498 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 28.9 mmt -70.37 -27.01 64.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.903 0.382 . . . . 0.0 110.193 177.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.5 65.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 10.4 pt-20 -66.45 -40.16 89.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.252 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' A' ' 44' ' ' ILE . 19.6 mt -60.66 -44.39 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.266 0.555 . . . . 0.0 110.108 175.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.07 -48.09 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.76 82.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.5 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.7 m -54.29 -68.28 0.2 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 123.802 0.689 . . . . 0.0 111.961 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -134.53 161.22 35.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.39 . . . . 0.0 110.738 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB3' ' HE2' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -148.27 159.03 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.373 -178.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.28 -34.77 0.4 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.569 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.53 -6.25 47.45 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.98 -153.1 6.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.005 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.8 t -126.86 -167.68 1.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.37 -37.0 71.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.707 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -66.31 -48.67 69.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.3 0.571 . . . . 0.0 110.321 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -44.32 91.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.631 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 85' ' ' GLU . 19.5 ptpt -63.87 -37.76 88.59 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.843 0.354 . . . . 0.0 110.498 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.5 m -65.46 -49.77 67.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.9 m -61.92 -38.08 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 71.2 m -59.5 -48.92 79.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.776 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 101' ' ' MET . 58.1 mt -66.29 -44.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.544 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.53 85.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.522 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -67.7 -35.03 78.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.742 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.85 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.819 0.343 . . . . 0.0 110.707 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 103' ' ' ASN . 26.0 mmt -64.09 -38.16 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -77.69 20.78 0.32 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.486 176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.7 t30 -126.67 -43.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.23 -43.39 78.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.156 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.557 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 63.9 m-85 -64.4 -32.41 74.02 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 111.331 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.1 mm? -78.3 -11.49 59.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.591 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.8 mm-40 -95.16 -34.25 12.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.385 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.06 -68.06 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.709 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 p -91.37 -43.54 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.057 0.456 . . . . 0.0 110.789 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.78 12.87 13.54 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.421 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -148.73 149.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG1' HD21 ' A' ' 106' ' ' LEU . 2.6 p -126.46 142.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 -176.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -108.16 121.53 45.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.753 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.557 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 0.3 OUTLIER -58.8 -53.56 65.17 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 118.841 -0.6 . . . . 0.0 112.501 -176.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD3' ' HB2' ' A' ' 114' ' ' GLN . 88.4 Cg_exo -45.55 -44.26 17.27 Favored 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.25 1.967 . . . . 0.0 113.118 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -61.37 -48.3 81.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.549 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.17 -37.71 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.511 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -71.58 -12.41 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.465 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.558 ' HA ' HE21 ' A' ' 122' ' ' GLN . 25.0 mm-40 -83.69 -41.75 17.37 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.8 mm -57.25 -33.49 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.362 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.4 p -66.43 -21.57 66.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.528 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 119' ' ' GLU . 41.1 mt-30 -81.82 -36.83 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -54.04 -59.28 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.425 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.69 -35.56 60.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.872 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -73.97 -44.91 53.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.401 -176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.8 ptm -70.85 -39.13 73.13 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.27 -21.33 66.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.569 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.88 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.673 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.89 -19.48 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.413 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.01 83.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.144 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.69 22.71 75.45 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.539 -0.755 . . . . 0.0 113.51 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -81.71 12.44 3.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.64 0.733 . . . . 0.0 111.189 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -34.02 12.64 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.533 175.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.15 -42.59 14.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.049 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.0 m 37.7 37.62 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.544 1.152 . . . . 0.0 113.401 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.3 p 53.33 25.18 4.31 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.083 0.953 . . . . 0.0 112.591 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.368 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 67.16 6.01 4.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.044 0.538 . . . . 0.0 111.818 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.68 -22.8 11.74 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.281 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -64.18 107.26 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.444 0.64 . . . . 0.0 110.894 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -109.88 154.35 23.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.54 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.412 ' O ' HG22 ' B' ' 7' ' ' THR . 89.7 m-70 -68.58 -34.53 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.378 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 6' ' ' HIS . 2.3 t 50.93 17.35 0.42 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.075 1.35 . . . . 0.0 114.113 171.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.421 ' O ' HG22 ' B' ' 11' ' ' THR . 4.9 p -116.35 158.22 43.55 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.361 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.86 -26.18 44.8 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.475 2.117 . . . . 0.0 112.148 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.6 p90 -93.94 23.23 5.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.421 HG22 ' O ' ' B' ' 8' ' ' THR . 9.4 t -72.6 -24.73 61.12 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.776 177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.42 HD22 HG23 ' B' ' 11' ' ' THR . 12.8 p30 -148.84 151.79 35.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.94 -36.66 84.41 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.933 2.422 . . . . 0.0 113.186 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.05 -50.45 67.58 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.298 -0.477 . . . . 0.0 113.063 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.29 -32.8 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.513 -0.404 . . . . 0.0 110.72 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.87 97.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.13 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -78.34 -31.88 48.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 110.627 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -33.8 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 175.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -55.52 -46.06 77.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 10.5 mmt -61.4 -50.04 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.576 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.066 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -63.15 -28.19 69.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.411 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' B' ' 27' ' ' LEU . 73.2 t80 -75.23 -53.8 8.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.985 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.5 mmm -61.2 -39.07 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.56 -33.88 76.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.867 0.365 . . . . 0.0 110.78 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.66 -37.31 23.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.968 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' B' ' 33' ' ' PHE . 31.3 tp -65.85 -29.29 69.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -67.83 -10.49 53.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.247 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.6 m -104.15 13.5 32.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.57 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -102.65 138.54 19.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.852 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.54 -18.89 28.92 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.058 2.505 . . . . 0.0 113.43 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.66 -24.17 75.39 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.296 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' B' ' 27' ' ' LEU . 66.5 m-85 -113.44 160.72 18.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 0.0 111.415 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 34.4 p -128.39 172.41 11.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -33.9 72.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.988 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.6 m -64.04 -39.68 94.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -82.07 -43.79 17.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -30.99 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.932 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.96 -37.69 74.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.645 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -86.86 -38.36 16.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.831 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -77.02 -25.97 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.1 t -60.35 -35.89 76.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.023 0.439 . . . . 0.0 110.285 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 4.4 m -58.84 -45.83 89.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.749 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.464 HD12 HD11 ' B' ' 80' ' ' ILE . 66.2 mt -67.12 -37.69 79.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.62 76.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.83 -7.98 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.421 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 67.3 m -83.21 -43.27 16.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.439 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 86.0 mmm -60.7 -39.47 88.63 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -66.96 -37.12 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -71.65 -31.3 66.69 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.654 0.264 . . . . 0.0 110.932 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -63.89 -44.84 91.81 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.65 -46.5 96.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.47 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.44 -38.89 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.352 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -66.04 -41.67 90.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.668 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.74 -35.67 70.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.06 97.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.59 -14.0 61.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.348 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.47 -0.33 26.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.972 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.39 28.95 70.51 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.617 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -108.64 20.68 18.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.252 0.548 . . . . 0.0 110.163 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.7 p -101.09 116.54 33.06 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.571 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.446 ' H ' ' HB3' ' B' ' 65' ' ' LYS . 14.6 m -116.94 158.9 42.85 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.006 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.2 -44.88 45.23 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -71.75 -35.66 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.68 0.276 . . . . 0.0 111.101 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' B' ' 62' ' ' SER . 9.3 tppt? -60.36 -48.03 83.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.63 -40.95 88.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.86 -44.46 86.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.876 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.536 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -69.61 -8.65 49.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.76 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 69' ' ' LEU . 28.0 mt -104.61 -0.96 27.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.922 0.392 . . . . 0.0 110.642 173.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -49.98 8.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.445 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 12.4 mtp -78.51 -28.63 46.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.215 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.39 -42.23 66.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.193 0.52 . . . . 0.0 110.478 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -69.5 -50.66 43.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.387 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -36.42 72.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.47 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -73.62 -40.12 64.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.552 ' O ' ' HG3' ' B' ' 79' ' ' GLU . 21.5 t -64.5 -36.25 83.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.259 0.552 . . . . 0.0 110.585 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.451 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.6 mmt -70.0 -22.17 63.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.872 0.368 . . . . 0.0 110.409 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.04 -47.39 18.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.768 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.663 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 0.0 OUTLIER -61.96 -46.7 88.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 76' ' ' SER . 22.5 mt -55.05 -45.59 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -48.07 62.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.287 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.04 69.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.512 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 61.9 m -68.05 -60.48 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -138.93 132.08 29.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 93' ' ' LYS . 1.5 pm0 -89.84 164.47 14.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.66 -35.56 22.07 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.386 -0.912 . . . . 0.0 111.089 173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.61 -30.75 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 111.719 -0.553 . . . . 0.0 111.719 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.83 163.17 54.62 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.519 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -76.91 -175.24 3.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.0 111.258 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.92 -38.06 84.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.092 0.472 . . . . 0.0 110.122 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.9 m -67.68 -44.2 78.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.272 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -61.77 -47.52 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.496 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' B' ' 85' ' ' GLU . 9.1 ptpp? -62.32 -35.52 79.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 110.825 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.6 m -69.69 -48.77 58.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -62.14 -34.34 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -61.13 -48.95 79.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -68.64 -46.32 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.0 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.73 83.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 9.8 t -65.49 -36.57 84.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.813 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.59 67.21 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.691 0.282 . . . . 0.0 111.075 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.0 mmt -61.77 -37.46 84.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.12 0.486 . . . . 0.0 109.995 175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -77.06 16.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.969 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.6 t30 -121.38 -41.95 2.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.27 76.02 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.176 -177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 56.6 m-85 -63.99 -36.0 82.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.147 0.498 . . . . 0.0 111.475 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.447 ' N ' HD12 ' B' ' 106' ' ' LEU . 6.3 mp -73.63 -18.79 61.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.717 -176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.3 mm-40 -85.39 -34.78 21.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 p -86.28 -67.43 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.489 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -88.94 -43.37 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.052 0.454 . . . . 0.0 110.596 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.11 -2.39 20.9 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -139.79 149.25 22.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -113.19 138.26 43.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.035 0.445 . . . . 0.0 111.141 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -91.29 109.62 20.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.124 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.93 -52.77 69.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.87 0.692 . . . . 0.0 112.87 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 85.1 Cg_exo -47.74 -44.9 25.46 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 122.182 1.921 . . . . 0.0 112.504 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.562 ' O ' HG12 ' B' ' 120' ' ' ILE . 43.3 t80 -58.3 -53.3 59.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.87 -39.95 83.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.295 0.569 . . . . 0.0 110.667 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.94 -14.08 60.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.613 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.493 ' HA ' HE21 ' B' ' 122' ' ' GLN . 48.1 mm-40 -86.18 -33.88 20.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.562 HG12 ' O ' ' B' ' 116' ' ' PHE . 50.1 mm -63.42 -40.88 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 15.5 p -58.96 -37.44 76.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.493 HE21 ' HA ' ' B' ' 119' ' ' GLU . 47.6 mt-30 -70.7 -35.76 72.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.991 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.8 mt -58.93 -49.68 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.5 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.29 -35.78 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.037 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 24.5 t -84.26 1.85 42.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.909 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' B' ' 127' ' ' PHE . 20.7 ptm -109.63 -42.67 4.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.905 177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . 0.447 ' N ' ' HG3' ' B' ' 126' ' ' MET . 28.4 m-85 -65.36 -19.12 65.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 111.117 -177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.91 76.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.5 mp0 -84.47 -19.24 33.67 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.636 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.37 -56.42 22.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.301 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.5 20.07 76.78 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.087 174.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -84.4 21.07 1.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.769 0.795 . . . . 0.0 110.835 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.98 -35.99 7.11 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.729 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -84.5 -58.72 2.62 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.639 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 25.1 m 42.21 21.73 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 124.851 1.344 . . . . 0.0 113.677 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 49.7 m 32.91 54.08 0.39 Allowed 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.722 1.209 . . . . 0.0 113.222 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.742 -179.126 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 55.59 81.7 0.11 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.502 0.667 . . . . 0.0 110.788 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.59 50.79 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.77 105.51 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.239 -0.48 . . . . 0.0 111.15 -173.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -72.71 104.25 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -141.31 152.99 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.78 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -106.16 144.97 32.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.169 0.509 . . . . 0.0 111.248 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 11' ' ' THR . 1.3 p -153.84 147.16 18.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.772 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 15.6 Cg_exo -69.05 -23.77 33.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.281 1.987 . . . . 0.0 112.26 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -103.12 13.35 34.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 8' ' ' THR . 11.0 t -85.88 -3.28 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.628 0.728 . . . . 0.0 109.254 174.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.12 123.65 12.51 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.894 -174.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.97 -41.51 78.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.319 2.013 . . . . 0.0 111.278 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -37.18 94.06 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.74 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -78.33 -34.05 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.245 -0.562 . . . . 0.0 110.642 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.27 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.161 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.92 -37.84 82.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.292 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -67.44 -24.31 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -58.06 -46.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.098 0.475 . . . . 0.0 109.938 174.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.9 mtt -69.49 -41.74 75.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.317 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -59.7 -48.7 80.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.878 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -72.46 -15.57 61.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.496 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 69.9 t80 -82.86 -54.28 5.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.272 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 92.2 mmm -61.48 -36.25 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -60.25 -28.32 67.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.941 0.4 . . . . 0.0 110.752 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.55 -33.72 5.79 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.209 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.4 tp -67.97 -34.92 77.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.759 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -73.2 6.8 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 111.321 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.4 m -117.85 5.93 12.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.259 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.8 mmt -92.66 142.27 25.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.53 -23.72 26.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.854 2.369 . . . . 0.0 112.835 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.23 -8.1 73.84 Favored Glycine 0 C--O 1.238 0.358 0 CA-C-N 115.939 -0.573 . . . . 0.0 113.603 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 27' ' ' LEU . 74.5 m-85 -126.76 150.9 48.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.168 0.509 . . . . 0.0 111.349 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 p -117.07 170.9 8.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.809 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.28 68.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 0.0 111.038 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -61.55 -41.64 97.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -76.93 -40.74 46.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.979 0.419 . . . . 0.0 110.479 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.16 -34.04 76.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.004 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.01 -41.54 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.049 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' B' ' 65' ' ' LYS . 5.5 t0 -75.12 -44.76 45.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.71 -175.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ptp -73.32 -26.62 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.684 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -63.07 -31.51 72.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.337 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -64.69 -46.44 82.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.132 0.492 . . . . 0.0 109.983 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.533 HD12 HD11 ' A' ' 80' ' ' ILE . 71.8 mt -64.22 -42.3 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.092 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.95 -57.98 5.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.724 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.45 -36.61 82.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.381 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.5 m -64.19 -36.82 85.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 81.7 mmm -75.05 -41.25 59.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.535 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 22.4 t -57.21 -52.21 59.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.336 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.97 -28.16 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.35 -43.33 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.507 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 70.9 mm-40 -58.33 -43.45 88.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.528 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 m -65.93 -33.2 75.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -73.1 -37.35 66.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.36 -37.54 71.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.07 -32.37 72.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.283 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -85.68 -26.45 25.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.02 51.91 2.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.709 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 31.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 111.254 175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 p -84.97 117.5 23.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.388 . . . . 0.0 110.673 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -124.08 152.46 67.04 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.392 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -52.94 -46.89 30.66 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.105 2.536 . . . . 0.0 112.41 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -69.07 -40.8 78.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.347 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -64.43 -35.39 80.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.216 0.532 . . . . 0.0 110.274 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.19 -39.13 63.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.44 -44.9 89.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.686 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.38 75.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.976 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.9 -34.62 74.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -58.23 -47.44 83.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.879 0.371 . . . . 0.0 110.292 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -42.33 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.832 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -53.27 -45.05 68.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.895 0.379 . . . . 0.0 110.781 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 77' ' ' MET . 76.3 t80 -65.88 -50.4 64.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.661 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.51 75.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 m -71.16 -38.18 72.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.808 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 80' ' ' ILE . 32.3 t -65.64 -41.89 92.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.21 0.529 . . . . 0.0 110.075 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -61.15 -27.36 68.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.91 0.386 . . . . 0.0 110.395 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -48.21 23.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' H ' ' HG3' ' A' ' 79' ' ' GLU . 1.4 pp20? -69.52 -33.78 73.31 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.533 HD11 HD12 ' A' ' 44' ' ' ILE . 27.3 mt -59.52 -42.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 173.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.57 -48.42 19.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.909 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.21 73.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.564 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.658 ' HB3' ' OD1' ' A' ' 133' ' ' ASN . 42.0 m -78.6 -61.29 2.06 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -122.55 132.38 54.28 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.29 174.53 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -146.7 -65.88 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.102 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.13 3.1 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.46 117.67 0.72 Allowed Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 p -66.1 164.15 16.07 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.526 0.33 . . . . 0.0 111.622 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 3.2 tm? -53.23 -51.77 61.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.392 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.1 m -63.15 -41.18 99.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.7 m -63.02 -50.75 69.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.2 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.48 -23.75 62.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -173.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 m -67.47 -45.16 76.73 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.13 0.49 . . . . 0.0 110.109 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -65.67 -34.65 78.7 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.154 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -59.29 -47.16 86.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.08 -50.93 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.0 79.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.483 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 t -66.29 -35.21 79.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.9 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.31 -32.18 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.288 -178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.2 mmt -60.33 -51.85 67.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.104 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 p -62.51 -30.83 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.767 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.2 t30 -64.0 -45.12 90.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.73 75.42 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.789 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.615 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 61.3 m-85 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.997 0.427 . . . . 0.0 111.247 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.23 -24.09 54.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.191 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.4 mm-40 -84.47 -24.89 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -94.25 -77.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.878 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.9 t -88.14 -35.67 17.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.191 -177.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.09 19.34 12.85 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.281 -0.961 . . . . 0.0 111.378 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.615 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.2 p -148.27 147.81 16.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.28 124.62 64.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.64 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 116' ' ' PHE . 62.0 t30 -75.73 98.85 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 52.8 tt0 -58.94 -52.92 71.38 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.764 -170.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 14.7 Cg_endo -57.28 -26.55 70.83 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.108 1.872 . . . . 0.0 112.516 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.465 ' O ' HG12 ' A' ' 120' ' ' ILE . 66.0 t80 -66.27 -49.19 67.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.383 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.55 -33.64 62.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.207 0.527 . . . . 0.0 110.304 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -69.61 -20.39 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.669 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -85.03 -35.08 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.797 0.332 . . . . 0.0 110.361 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.0 mm -61.37 -38.21 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.85 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.7 p -64.28 -37.74 88.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.34 -34.99 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.886 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.99 -49.43 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.5 t -65.69 -33.57 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.21 0.528 . . . . 0.0 110.275 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.3 t -76.45 -16.99 59.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.862 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -96.86 -43.53 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.566 -0.453 . . . . 0.0 111.231 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -65.93 -16.93 64.31 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.608 0.242 . . . . 0.0 111.329 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.19 77.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.233 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.85 -16.84 43.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.729 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.59 -69.61 0.35 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 53.52 53.07 37.43 Favored Glycine 0 CA--C 1.521 0.422 0 CA-C-N 116.013 -0.54 . . . . 0.0 113.198 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 21.42 1.42 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.877 0.846 . . . . 0.0 110.719 -175.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.658 ' OD1' ' HB3' ' A' ' 83' ' ' SER . 0.7 OUTLIER -87.62 -40.49 14.16 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.66 176.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -90.47 -37.34 13.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.845 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 17.9 m 40.47 41.04 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 124.44 1.088 . . . . 0.0 113.179 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m 63.17 20.81 12.5 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.408 176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.132 -178.643 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.243 -0.343 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -147.2 168.81 20.73 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.42 7.46 26.23 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.848 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -97.26 17.62 16.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.527 . . . . 0.0 110.758 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p -62.17 118.51 7.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.882 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -124.75 157.86 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -105.03 171.5 7.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.287 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.4 ' H ' ' HB ' ' B' ' 11' ' ' THR . 6.0 p -148.43 160.47 36.47 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.093 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' LEU . 27.4 Cg_exo -63.59 -8.32 14.9 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.706 2.271 . . . . 0.0 112.463 176.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -125.24 24.44 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.372 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.482 HG23 HD22 ' B' ' 12' ' ' ASN . 7.6 t -62.64 -24.57 67.67 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.482 HD22 HG23 ' B' ' 11' ' ' THR . 48.1 m-80 -132.88 153.93 81.21 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -52.32 -28.22 33.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.97 2.446 . . . . 0.0 112.895 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 -32.52 47.87 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.7 mm? -76.06 -34.13 59.58 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.176 0.512 . . . . 0.0 109.745 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -46.82 85.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.842 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.05 -33.68 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.59 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -62.3 -35.94 80.58 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.838 0.351 . . . . 0.0 110.644 177.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -60.71 -43.06 98.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.331 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.0 mtt -71.68 -44.19 64.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.492 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -57.53 -50.43 73.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.862 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -64.57 -20.74 66.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.506 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -82.17 -52.5 6.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.014 0.435 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 87.5 mmm -67.46 -28.87 68.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.25 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -71.99 -20.6 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 0.0 111.096 -179.684 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.58 -28.66 6.23 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 33' ' ' PHE . 35.7 tp -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 110.759 -176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.0 p -61.11 -20.59 62.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 66.2 m -114.4 16.7 17.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.822 0.344 . . . . 0.0 111.536 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.1 mmt -81.39 138.77 48.13 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.535 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.04 -17.46 40.82 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 122.953 2.436 . . . . 0.0 113.323 -174.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.55 -13.44 75.92 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.455 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' B' ' 27' ' ' LEU . 31.8 m-85 -118.02 163.88 15.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 111.598 -176.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 64.0 p -122.97 151.05 42.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.572 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.65 -36.4 71.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.646 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.8 m -66.12 -26.34 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.658 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.452 ' NE2' ' HG3' ' B' ' 84' ' ' GLU . 94.7 mt-30 -88.23 -30.57 19.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.638 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.84 -18.31 64.14 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.823 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -29.53 67.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.929 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -86.04 -38.8 17.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.7 ptm -84.41 -26.43 28.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.548 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.6 p -65.02 -31.88 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 110.527 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -60.68 -41.01 94.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.007 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.561 HD12 HD11 ' B' ' 80' ' ' ILE . 55.7 mt -68.92 -39.09 79.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.008 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.433 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -51.79 -56.78 11.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.094 0.473 . . . . 0.0 110.171 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.47 -40.14 90.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.641 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -63.31 -37.96 89.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.009 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 71.0 mmm -72.33 -40.96 67.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.614 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.2 t -55.32 -55.08 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.948 175.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -66.69 -33.05 74.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.2 t -61.15 -45.9 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 0.0 109.924 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.72 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.976 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 77.3 mm-40 -58.08 -38.8 77.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.137 0.494 . . . . 0.0 110.163 177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -66.44 -37.52 85.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.9 -33.55 66.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.63 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' OG1' ' B' ' 61' ' ' THR . . . -69.5 -43.86 72.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.58 76.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.267 0.556 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.69 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.817 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.93 51.17 1.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.954 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 60' ' ' ARG . 0.0 OUTLIER -133.09 25.05 4.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.091 0.472 . . . . 0.0 110.373 174.692 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' B' ' 56' ' ' ALA . 0.8 OUTLIER -92.04 123.06 35.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.218 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.9 m -140.7 154.93 69.49 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.181 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -53.78 -33.59 71.32 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 112.708 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -66.81 -53.75 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.529 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.422 ' HG2' ' OD1' ' A' ' 40' ' ' ASP . 21.2 mtpp -66.69 -31.22 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.049 -178.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.83 -29.64 64.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.301 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.409 HE22 ' HA ' ' A' ' 133' ' ' ASN . 8.4 tt0 -67.15 -42.83 83.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.102 175.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.71 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.994 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.63 -20.27 54.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.283 0.563 . . . . 0.0 109.739 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.29 -50.56 59.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.0 mmm -68.0 -37.12 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.883 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.74 -45.81 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.809 0.338 . . . . 0.0 110.495 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -66.72 -50.73 61.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.38 -38.23 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.407 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.4 m -75.07 -36.87 61.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 19.2 t -63.27 -44.97 93.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.105 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mmt -63.86 -23.85 67.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.363 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.07 -52.03 10.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.013 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 79' ' ' GLU . 1.8 pp20? -64.73 -38.87 92.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.561 HD11 HD12 ' B' ' 44' ' ' ILE . 19.8 mt -59.35 -45.92 92.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.459 0.647 . . . . 0.0 109.941 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.82 78.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.533 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.74 74.61 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.403 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 70.5 m -73.23 -66.2 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.086 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' NE2' ' B' ' 37' ' ' GLN . 8.2 tp10 -91.49 124.21 35.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 120.993 0.425 . . . . 0.0 111.401 -172.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -83.69 151.48 25.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.43 -135.67 5.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.579 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -100.47 12.1 59.82 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.394 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.81 158.97 19.43 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.696 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' B' ' 92' ' ' THR . 19.0 m -62.96 158.22 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.808 0.337 . . . . 0.0 111.09 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 2.1 tm? -54.88 -51.15 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.007 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 m -62.36 -36.33 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' B' ' 89' ' ' SER . 10.1 m -62.73 -48.65 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.298 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 90' ' ' LEU . 2.0 ptmm? -73.06 -13.57 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.944 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -77.78 -48.73 15.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.038 0.447 . . . . 0.0 109.845 173.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.6 m -64.39 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.805 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m -55.54 -47.03 76.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.07 -43.74 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.544 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.09 75.58 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.589 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 7.2 t -67.85 -40.18 83.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.427 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -66.52 -37.53 85.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.158 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.4 mmt -64.07 -48.45 76.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.455 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.1 m -57.39 -40.24 77.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.917 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 18.6 t30 -56.72 -55.61 32.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.968 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.93 -38.35 56.1 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.8 m-85 -67.03 -34.22 77.24 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.091 0.472 . . . . 0.0 111.213 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -74.97 -23.19 58.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.871 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 76.4 mm-40 -84.38 -28.24 27.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.12 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -86.75 -66.25 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 111.645 -178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.451 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.8 t -106.01 -35.99 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.241 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.64 4.33 23.22 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.223 177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 10.6 p -139.13 150.78 23.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -107.71 137.3 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.765 0.317 . . . . 0.0 110.743 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -80.69 116.38 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 47.7 tt0 -57.34 -56.84 29.69 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.321 -174.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.56 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 20.5 Cg_endo -60.2 -33.33 94.94 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.81 1.673 . . . . 0.0 112.269 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.596 ' O ' HG12 ' B' ' 120' ' ' ILE . 21.5 t80 -57.66 -55.93 28.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -175.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 42.4 mm -60.27 -38.4 77.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.937 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.6 -45.24 87.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 44.1 mm-40 -59.06 -41.56 88.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.526 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 116' ' ' PHE . 38.1 mm -60.89 -46.42 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 67.6 p -63.52 -36.21 83.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.747 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.46 -31.72 72.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.672 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 119' ' ' GLU . 96.4 mt -61.36 -50.37 73.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.0 110.384 175.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.37 -35.63 70.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.284 0.564 . . . . 0.0 110.15 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 23.3 t -76.13 -9.09 58.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.104 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 25.8 ptm -105.77 -45.34 4.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.036 178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -63.97 -25.85 68.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 111.322 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.97 77.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.913 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -92.71 -19.17 22.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.534 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.79 76.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.01 25.37 75.45 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.778 -0.646 . . . . 0.0 113.163 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -79.47 10.3 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.724 0.773 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.403 HD22 ' N ' ' B' ' 134' ' ' ASP . 0.5 OUTLIER -97.19 -29.32 13.65 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.63 177.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.403 ' N ' HD22 ' B' ' 133' ' ' ASN . 14.2 t70 -92.01 -44.47 8.85 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.831 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.8 m 40.59 38.97 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 124.387 1.054 . . . . 0.0 112.842 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.5 p 46.4 61.9 2.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.269 -173.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.315 -178.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -64.09 -46.99 81.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.806 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.9 98.24 0.58 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -82.73 -26.45 31.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.929 0.395 . . . . 0.0 111.014 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -87.98 97.4 10.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.975 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -115.13 -42.89 3.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 t -139.0 148.02 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.102 0.477 . . . . 0.0 111.136 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.581 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.9 p -154.25 158.51 32.39 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.904 176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 30.5 Cg_endo -64.93 -7.48 15.28 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.359 2.039 . . . . 0.0 112.685 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.462 ' CE3' ' HG2' ' A' ' 9' ' ' PRO . 13.3 p90 -127.64 16.19 6.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.558 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.581 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 15.0 t -75.06 -16.98 60.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.327 . . . . 0.0 111.014 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.456 HD22 HG23 ' A' ' 11' ' ' THR . 12.0 p30 -150.8 150.83 29.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 50.5 Cg_exo -54.0 -37.34 86.17 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.954 2.436 . . . . 0.0 112.483 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -52.92 47.28 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.809 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.083 0.441 . . . . 0.0 110.728 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.31 98.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.212 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 12.3 pt-20 -79.48 -37.31 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.005 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -66.33 -29.7 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.35 -0.219 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -54.1 -44.49 71.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.191 0.52 . . . . 0.0 110.281 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 42.7 mtt -70.11 -43.34 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.591 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.617 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 39.3 m-80 -61.25 -52.37 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.919 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -65.92 -24.96 66.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.352 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.6 t80 -63.37 -51.37 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.487 176.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.5 mmm -66.25 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.104 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 24.8 mt-30 -62.47 -29.3 70.42 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.137 0.494 . . . . 0.0 110.65 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.91 -34.23 6.04 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.478 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD22 ' CE2' ' A' ' 23' ' ' PHE . 39.7 tp -71.96 -27.6 62.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 111.015 -176.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.1 p -63.53 -19.87 65.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -107.35 18.88 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.911 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.9 mmt -103.48 148.01 35.08 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.363 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.13 165.78 31.14 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.498 2.132 . . . . 0.0 111.414 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.92 -49.67 1.4 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.9 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -93.15 130.63 38.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.769 0.318 . . . . 0.0 110.588 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.5 p -91.15 173.45 7.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.296 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.32 67.31 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -176.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 p -93.55 -30.11 15.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.895 0.855 . . . . 0.0 109.302 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 80' ' ' ILE . 5.5 tp-100 -69.0 -48.87 62.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.258 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.37 -36.78 78.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.145 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -80.19 -42.19 23.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.075 0.464 . . . . 0.0 110.093 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.7 ptm -76.34 -23.36 54.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.784 -176.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -62.02 -24.05 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.637 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' B' ' 65' ' ' LYS . 7.1 m -66.0 -40.86 91.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.132 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' A' ' 47' ' ' SER . 19.9 mt -65.09 -33.19 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -58.47 -41.05 84.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.797 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.579 HE22 HD21 ' B' ' 55' ' ' LEU . 1.1 pp0? -90.04 -12.1 39.53 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.303 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 24.4 p -89.12 -33.84 16.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.3 mmm -70.79 -37.88 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.577 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' ALA . 26.8 m -66.94 -32.68 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.532 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -68.17 -38.56 82.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.572 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.3 m -58.18 -45.47 87.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.01 0.433 . . . . 0.0 110.105 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.86 -49.15 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.865 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -60.41 -39.15 86.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.83 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -61.23 -39.32 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.198 0.523 . . . . 0.0 110.201 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 67.5 mt -77.52 -35.16 53.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.064 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.18 95.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.789 0.328 . . . . 0.0 110.69 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.29 -26.84 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -98.61 4.36 48.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.376 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.95 84.27 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.556 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 18.7 mmm180 -100.02 -4.04 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.049 0.452 . . . . 0.0 110.11 -177.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 144.6 38.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.261 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.9 m -152.96 150.46 24.24 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.954 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.69 -43.43 51.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.017 2.478 . . . . 0.0 112.681 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -66.04 -48.25 71.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.638 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.128 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.41 -39.27 88.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.533 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.616 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.8 tt0 -58.04 -43.36 86.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.645 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.98 -2.99 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.657 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.3 mt -105.56 -2.83 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.324 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -53.35 8.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.151 177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.415 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 27.7 mtp -79.67 -24.15 42.0 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.887 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -53.12 -39.41 63.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 172.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -77.98 -41.19 36.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.442 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.23 -37.26 84.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 m -78.45 -34.15 47.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.614 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 3.5 p -70.92 -31.4 68.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.727 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 27.7 mmt -64.49 -35.72 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.17 174.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.26 -37.33 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.312 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 76.6 tt0 -59.61 -33.27 71.27 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.061 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 37' ' ' GLN . 14.2 mt -84.35 -44.34 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.37 90.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.949 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.11 61.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.64 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -81.44 -56.81 3.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.782 0.325 . . . . 0.0 111.275 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -130.22 169.16 15.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.545 0.688 . . . . 0.0 112.363 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 11.0 pt-20 -161.29 -171.18 2.91 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.593 177.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 -33.68 0.25 Allowed Glycine 0 C--O 1.227 -0.292 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.9 14.42 57.37 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 170.62 179.09 41.75 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -103.62 -172.6 2.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.228 0.514 . . . . 0.0 110.845 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.44 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 59.2 tp -59.32 -38.84 81.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.044 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -71.55 -36.14 70.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.137 0.494 . . . . 0.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -65.75 -50.81 63.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.153 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 85' ' ' GLU . 18.2 ptpt -61.41 -36.9 81.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -67.04 -42.89 84.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.4 t -63.01 -38.99 93.4 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.036 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 75.2 m -64.6 -47.64 77.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.305 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.44 -45.76 89.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 110.699 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.98 82.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.452 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 t -72.86 -25.05 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.294 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.86 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.501 ' SD ' HG13 ' A' ' 120' ' ' ILE . 39.0 mtt -69.79 -44.18 70.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.062 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 p -58.89 -38.44 78.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.438 0.637 . . . . 0.0 110.162 178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.1 t30 -62.41 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.036 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.9 84.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.324 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.587 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 49.0 m-85 -62.69 -38.06 88.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.147 0.499 . . . . 0.0 110.998 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.74 -24.84 59.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.873 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 80.1 mm-40 -76.87 -37.83 54.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.0 p -81.75 -78.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.154 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -94.18 -25.36 17.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.215 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.06 16.43 21.22 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.137 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.6 p -154.2 146.59 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p -118.51 137.05 53.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.032 0.444 . . . . 0.0 111.234 -176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -88.26 120.45 29.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.942 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.508 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 35.5 tt0 -64.87 -51.21 58.6 Favored Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -174.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.1 Cg_exo -50.07 -41.69 48.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.006 1.804 . . . . 0.0 112.649 177.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.542 ' O ' HG12 ' A' ' 120' ' ' ILE . 23.6 t80 -53.39 -53.16 55.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.789 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.62 -31.82 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.871 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -68.41 -47.27 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.872 0.368 . . . . 0.0 111.362 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.7 mm -60.54 -39.1 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.554 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.3 p -63.91 -34.37 77.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.284 0.564 . . . . 0.0 110.477 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -70.94 -38.44 72.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.32 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.24 -52.07 67.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.92 -41.77 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.819 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.1 t -68.86 -49.91 54.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.132 -178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -63.88 -40.7 97.15 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -63.41 -35.37 80.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.675 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.62 -43.19 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.725 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.469 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.6 mt-30 -74.49 -27.42 60.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.091 -178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.25 97.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.02 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.13 11.25 70.06 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.606 -0.724 . . . . 0.0 113.142 172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -75.98 -3.71 37.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.681 0.753 . . . . 0.0 110.944 -177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.683 HD22 ' N ' ' A' ' 134' ' ' ASP . 0.3 OUTLIER -105.38 -27.29 11.56 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.583 177.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.683 ' N ' HD22 ' A' ' 133' ' ' ASN . 12.9 t70 -87.68 -35.75 17.81 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.338 -175.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.1 m 40.57 39.18 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 124.326 1.016 . . . . 0.0 112.924 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 p 51.84 27.27 4.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 112.649 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.885 -179.279 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -103.46 1.13 32.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.167 0.508 . . . . 0.0 110.598 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.21 131.23 2.04 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.74 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -93.53 -36.38 12.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.944 0.402 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -83.85 77.49 9.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.149 0.5 . . . . 0.0 110.45 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -127.78 -79.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.581 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -88.31 142.95 27.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.327 0.584 . . . . 0.0 110.695 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.485 ' O ' HG22 ' B' ' 11' ' ' THR . 1.7 p -152.12 158.32 33.77 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.662 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.46 -14.18 43.6 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.295 1.997 . . . . 0.0 112.091 176.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 31.9 p90 -120.29 19.02 12.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.476 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.485 HG22 ' O ' ' B' ' 8' ' ' THR . 10.3 t -69.11 -25.21 64.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.698 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' B' ' 11' ' ' THR . 11.1 p30 -149.17 152.75 36.76 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.0 -31.31 92.57 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.85 2.367 . . . . 0.0 112.75 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.67 -44.86 95.44 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.473 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.52 -33.69 62.84 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.5 -0.412 . . . . 0.0 110.639 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -43.91 94.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.29 -32.64 62.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.623 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.59 -36.02 82.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -58.04 -44.12 87.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.721 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtt -76.19 -43.72 41.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.057 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 32.6 m-80 -63.21 -48.84 76.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.4 m -61.98 -29.58 70.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.76 0.314 . . . . 0.0 111.102 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CE2' HD22 ' B' ' 27' ' ' LEU . 81.5 t80 -64.32 -52.24 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -65.19 -34.8 79.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.373 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 54.7 mt-30 -61.4 -33.52 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.172 0.51 . . . . 0.0 110.977 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -90.4 -27.26 20.88 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.401 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.472 HD22 ' CE2' ' B' ' 23' ' ' PHE . 32.9 tp -75.61 -26.61 57.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.8 p -63.38 -23.29 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.29 0.567 . . . . 0.0 110.655 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -102.69 24.37 10.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.461 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 21.9 mmt -114.26 138.89 23.2 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.803 -177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.66 133.54 11.63 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.425 2.083 . . . . 0.0 110.487 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . 0.557 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 141.64 -32.99 2.0 Favored Glycine 0 N--CA 1.439 -1.124 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.548 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -107.42 149.3 28.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.161 0.505 . . . . 0.0 111.939 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.45 ' OG1' ' HB2' ' B' ' 37' ' ' GLN . 81.9 p -87.4 169.66 12.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.271 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 -11.05 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.954 0.407 . . . . 0.0 111.197 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -97.45 -37.1 10.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.719 0.771 . . . . 0.0 109.036 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.45 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 0.4 OUTLIER -62.62 -51.64 66.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.44 -1.254 . . . . 0.0 110.571 -179.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 83.6 mt -59.99 -38.24 82.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.01 -44.19 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.192 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.87 -45.93 59.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.52 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 14.1 ptm -68.74 -27.42 65.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -33.94 71.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.566 174.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.5 m -66.58 -41.44 88.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.592 HD12 HD11 ' B' ' 80' ' ' ILE . 36.9 mt -70.53 -34.59 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.999 0.428 . . . . 0.0 110.434 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.1 91.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.518 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -12.25 58.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.458 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 48.2 p -87.21 -34.49 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.345 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.8 mmm -63.43 -43.82 96.36 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.274 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 m -66.38 -38.54 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.825 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -70.33 -34.94 73.28 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.816 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -61.81 -45.58 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.54 -46.17 97.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.64 -34.82 76.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -66.92 -45.9 76.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.067 0.461 . . . . 0.0 110.212 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.579 HD21 HE22 ' A' ' 46' ' ' GLN . 70.6 mt -63.18 -38.79 92.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.975 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.1 94.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.19 -33.36 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.514 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.81 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.498 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 38.05 56.22 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.195 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -104.23 -7.67 19.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.14 140.5 50.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.221 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.5 m -153.35 161.08 30.04 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.06 -47.81 22.25 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.749 2.299 . . . . 0.0 112.406 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -65.46 -40.88 93.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.188 0.518 . . . . 0.0 110.132 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.492 ' HD2' ' HB ' ' A' ' 43' ' ' THR . 2.0 tppt? -59.07 -43.96 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.097 -175.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.08 -36.53 66.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.934 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.98 -45.7 80.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.545 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.65 4.33 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.403 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 mt -116.21 9.47 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -59.06 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.405 176.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.439 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 22.6 mtp -78.2 -19.02 54.71 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.23 -38.86 69.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.19 0.519 . . . . 0.0 109.949 170.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' B' ' 77' ' ' MET . 84.0 t80 -76.85 -42.67 39.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.251 176.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' B' ' 71' ' ' MET . . . -60.65 -38.92 86.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.751 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 16.4 m -77.64 -38.39 48.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.137 -175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.529 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.9 p -66.47 -33.55 75.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.2 0.524 . . . . 0.0 110.905 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.505 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 28.9 mmt -71.24 -25.5 62.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.83 -43.93 34.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.473 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -65.89 -28.06 68.67 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.992 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.592 HD11 HD12 ' B' ' 44' ' ' ILE . 18.1 mt -73.82 -47.78 42.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 121.166 0.508 . . . . 0.0 110.251 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.04 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.034 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.14 -14.62 62.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.022 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.9 t -72.59 -62.72 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.581 0.229 . . . . 0.0 111.252 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -120.23 153.35 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.348 0.594 . . . . 0.0 111.764 -175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -136.08 -165.29 1.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.751 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.09 -58.37 0.56 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.763 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -109.1 26.52 15.04 Favored Glycine 0 CA--C 1.503 -0.661 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.557 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.72 135.23 2.78 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.083 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 t -83.11 169.47 15.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.74 -42.93 94.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.895 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.6 t -69.12 -37.7 78.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.878 0.371 . . . . 0.0 110.16 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -54.96 39.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.965 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.489 ' O ' HG13 ' B' ' 97' ' ' ILE . 18.1 ptpt -63.22 -36.69 84.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.163 -177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 82.7 m -64.59 -45.82 85.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.993 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -62.99 -40.14 96.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.017 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 68.0 m -63.89 -45.59 88.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.485 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 93' ' ' LYS . 39.1 mt -57.36 -49.89 78.65 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 120.909 0.385 . . . . 0.0 110.608 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.22 77.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.65 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 32.5 t -60.48 -45.4 93.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.59 84.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.958 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 45.6 mtt -66.4 -45.49 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.349 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.1 p -61.21 -29.56 69.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 111.256 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.8 t30 -70.66 -41.99 71.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.787 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.35 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.868 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 38.7 m-85 -63.09 -38.74 92.39 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.189 0.518 . . . . 0.0 111.208 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.73 -24.03 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.768 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 74.8 mm-40 -79.72 -34.57 39.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.704 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 4.4 p -83.0 -71.47 0.49 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.366 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 7.2 t -101.38 -21.03 14.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.408 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.98 5.99 49.54 Favored Glycine 0 CA--C 1.506 -0.477 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.72 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 14.5 p -141.71 150.35 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.403 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 3.3 p -119.85 128.12 75.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.169 0.509 . . . . 0.0 111.368 -175.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -73.8 101.53 3.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.969 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.474 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.9 tt0 -56.94 -47.01 99.8 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.271 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 57.7 Cg_exo -54.46 -43.55 57.8 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 121.862 1.708 . . . . 0.0 112.114 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.467 ' O ' HG12 ' B' ' 120' ' ' ILE . 25.1 t80 -55.11 -53.39 56.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.627 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.92 -36.96 76.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.115 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -67.44 -38.14 84.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 40.2 mm-40 -64.21 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 110.96 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 116' ' ' PHE . 41.7 mm -62.07 -35.63 69.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -177.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 72.4 p -63.27 -26.21 68.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.041 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.16 -37.72 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.553 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 126' ' ' MET . 97.1 mt -57.64 -50.05 74.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.479 -177.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 t -63.64 -31.97 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -83.17 -37.13 24.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.929 -176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.617 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 27.5 ptm -66.33 -46.61 76.26 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.337 -0.227 . . . . 0.0 111.266 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -62.44 -26.14 68.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 110.861 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.28 70.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.812 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.617 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.9 mt-30 -83.58 -27.66 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.678 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.77 -44.84 88.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.47 17.73 72.9 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.784 -0.644 . . . . 0.0 113.122 174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -76.76 1.91 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 111.274 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.647 HD22 ' N ' ' B' ' 134' ' ' ASP . 0.4 OUTLIER -103.48 -26.79 12.72 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.35 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.647 ' N ' HD22 ' B' ' 133' ' ' ASN . 2.4 t70 -93.52 -51.17 5.08 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.824 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 33.6 m 41.18 27.1 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.725 1.21 . . . . 0.0 113.848 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.2 p 43.94 36.21 1.34 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.801 0.841 . . . . 0.0 112.519 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.747 -178.397 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.398 -0.281 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -128.66 150.4 50.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.469 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.24 70.26 1.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.467 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -86.25 82.94 7.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.598 0.237 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -62.11 109.01 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.149 0.5 . . . . 0.0 111.234 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -140.46 169.23 18.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.53 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -63.65 135.3 56.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.534 0.683 . . . . 0.0 110.593 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -157.48 166.85 15.71 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.465 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.29 -15.72 50.03 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.237 1.958 . . . . 0.0 112.217 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -122.0 21.53 10.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.078 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 HG23 HD22 ' A' ' 12' ' ' ASN . 9.2 t -67.9 -20.65 65.12 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.459 HD22 HG23 ' A' ' 11' ' ' THR . 11.8 p30 -157.75 157.15 29.54 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.6 Cg_exo -53.73 -32.16 64.42 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.132 2.555 . . . . 0.0 113.199 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.73 -0.89 35.2 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 113.411 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.03 -33.5 3.93 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.626 -0.337 . . . . 0.0 110.299 173.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.4 91.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.301 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -75.69 -36.66 59.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.858 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -59.34 -35.92 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.317 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.57 -57.66 10.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.022 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 21.1 ptp -73.1 -28.22 62.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.512 -173.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 21.0 m-80 -67.53 -43.61 80.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.771 0.32 . . . . 0.0 110.466 176.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 m -72.49 -23.77 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -62.38 -50.43 71.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.219 175.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.4 mmm -64.69 -30.08 71.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.176 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 84.6 mm-40 -59.97 -43.75 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -22.86 52.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.499 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 33' ' ' PHE . 48.6 tp -77.47 -25.74 50.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.965 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.3 p -73.48 -1.89 20.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 p -120.82 15.54 11.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.0 mmt -90.6 129.96 42.96 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.87 -26.64 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.192 2.595 . . . . 0.0 113.454 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.33 -7.75 85.16 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.768 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 27' ' ' LEU . 14.2 m-85 -106.49 170.46 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.542 0.687 . . . . 0.0 112.488 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.3 p -116.79 154.4 30.76 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.919 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.18 66.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.349 . . . . 0.0 111.44 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.1 t -74.76 -50.35 17.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -66.27 -32.07 73.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.636 0.255 . . . . 0.0 111.354 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 34' ' ' THR . 88.7 mt -61.77 -30.97 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -67.26 -47.26 71.23 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.261 0.553 . . . . 0.0 110.239 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.43 -50.75 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.254 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.53 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 11.3 ptm -71.37 -26.52 62.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.595 -174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -64.54 -32.18 73.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.283 0.563 . . . . 0.0 109.731 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.8 m -67.89 -39.32 83.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.486 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.95 -38.71 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.41 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.2 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.369 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.531 HE22 HD21 ' B' ' 55' ' ' LEU . 0.8 OUTLIER -80.74 -5.2 56.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.001 0.429 . . . . 0.0 111.659 -178.245 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' B' ' 51' ' ' SER . 56.3 m -86.6 -38.42 17.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.511 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 86.4 mmm -67.08 -40.26 86.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.0 -32.12 56.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.71 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.37 -37.8 86.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' B' ' 47' ' ' SER . 15.2 m -67.85 -41.6 82.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.489 178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.37 -48.35 88.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -60.07 -43.22 95.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.44 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 m -63.1 -44.97 94.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.835 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.94 -34.03 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.893 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.83 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -30.66 71.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.186 0.517 . . . . 0.0 110.733 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 25.2 mt-30 -83.44 -14.48 52.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.115 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.64 30.18 60.34 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.313 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 56.2 mtp180 -107.22 10.39 29.94 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.026 0.441 . . . . 0.0 110.587 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -80.31 135.07 36.14 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.527 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -132.47 156.02 80.58 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.89 -27.28 52.74 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.748 2.299 . . . . 0.0 111.69 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.62 -60.9 2.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.432 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -70.86 -30.31 66.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.631 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.31 -34.23 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 110.004 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.562 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.6 tt0 -80.37 -42.41 22.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.47 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -58.18 -38.09 76.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.227 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.97 -0.91 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.96 -44.82 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 170.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.7 mmm -73.27 -40.11 64.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -55.27 -32.65 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.715 175.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.531 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.6 t80 -78.64 -48.08 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.405 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.48 -33.43 69.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.976 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 123' ' ' LEU . 5.2 p -78.05 -39.01 43.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.748 -175.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 6.3 p -70.44 -29.26 65.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -69.06 -37.71 78.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.7 98.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.164 175.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 76' ' ' SER . 20.6 tt0 -54.29 -62.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.724 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.5 mt -58.13 -36.16 55.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.571 -177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.85 20.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.62 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.99 -39.54 63.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.353 -175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -63.84 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.66 132.16 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.467 0.651 . . . . 0.0 111.72 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -107.65 -22.64 12.43 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.332 -171.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.85 46.85 0.22 Allowed Glycine 0 C--N 1.298 -1.556 0 CA-C-N 113.348 -1.751 . . . . 0.0 115.289 -173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.99 -53.0 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.91 -170.66 22.14 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 43.2 t -65.26 160.74 20.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -70.09 -36.72 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.686 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.0 m -64.41 -53.5 47.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.94 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 89' ' ' SER . 14.8 ptmt -61.78 -37.4 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.372 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -68.33 -45.62 72.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.075 0.464 . . . . 0.0 110.917 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -70.14 -23.43 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.7 m -61.08 -43.92 98.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.9 mt -67.35 -45.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.177 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.97 -44.27 82.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.515 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -66.22 -44.82 82.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.11 77.31 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.354 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.4 mmt -65.4 -44.83 86.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -59.44 -38.95 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.124 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.2 t30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.031 177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.82 78.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.552 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.624 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 47.1 m-85 -66.4 -31.73 72.67 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.085 0.469 . . . . 0.0 111.128 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.58 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.4 mm-40 -94.03 -14.64 25.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.947 0.403 . . . . 0.0 110.857 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 p -107.81 -71.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.889 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -95.94 -31.97 12.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.387 -177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.16 15.73 22.87 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.697 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.624 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.7 p -150.85 148.13 15.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 51.9 t -97.0 132.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.156 -175.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -83.83 100.97 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 47.4 tt0 -61.69 -47.22 92.91 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -171.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 81.9 Cg_exo -48.3 -47.33 20.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.012 1.808 . . . . 0.0 112.398 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.2 t80 -51.87 -48.6 63.98 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.322 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.03 -30.18 49.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -82.1 -14.11 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.476 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -86.53 -34.96 19.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.894 0.378 . . . . 0.0 110.663 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.502 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.1 mm -62.93 -36.32 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.117 -176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.0 p -62.11 -35.31 78.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.011 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -70.08 -37.65 75.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 75' ' ' SER . 97.3 mt -61.6 -50.72 71.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.001 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 38.0 t -63.11 -35.77 73.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -70.68 -25.21 62.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.738 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.1 ptm -90.34 -40.76 11.91 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.602 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -67.95 -17.87 64.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.607 0.241 . . . . 0.0 111.551 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.07 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.679 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.7 mp0 -78.16 -26.01 47.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.388 . . . . 0.0 110.868 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.07 -71.57 0.21 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.883 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 60.72 47.21 92.35 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.3 177.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -78.0 8.75 4.32 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.59 0.71 . . . . 0.0 111.216 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.591 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER -96.82 -34.88 11.13 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.428 178.621 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.29 -46.46 17.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.107 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.9 m 37.91 36.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 124.543 1.152 . . . . 0.0 113.652 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.6 m 58.94 28.2 17.28 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.851 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.081 -179.522 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 59.3 p -158.8 -176.02 5.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.602 0.239 . . . . 0.0 110.446 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.0 62.1 1.07 Allowed Glycine 0 CA--C 1.504 -0.608 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -82.91 106.7 14.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.385 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.8 m -121.39 94.73 4.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.216 0.532 . . . . 0.0 111.004 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -123.57 168.87 12.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.443 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -63.36 137.07 58.04 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.624 0.726 . . . . 0.0 110.538 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.402 ' H ' ' HB ' ' B' ' 11' ' ' THR . 1.5 p -157.69 169.32 10.8 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.604 -173.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -63.89 -9.21 18.09 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.379 2.053 . . . . 0.0 112.453 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.0 p90 -129.45 22.51 5.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.402 ' HB ' ' H ' ' B' ' 8' ' ' THR . 12.3 t -70.06 -17.3 63.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.075 -178.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -148.34 155.82 42.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.999 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 54.1 Cg_exo -55.43 -35.86 92.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.11 -52.85 44.19 Favored Glycine 0 CA--C 1.519 0.283 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.341 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.41 -33.55 65.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.961 0.381 . . . . 0.0 110.688 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.82 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 10.9 pt-20 -75.24 -38.85 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.298 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -56.39 -35.65 67.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.457 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -55.51 -56.84 15.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.01 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 19.8 ptp -73.3 -27.44 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 -175.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.54 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 19.0 m-80 -65.83 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.517 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.2 m -72.24 -30.6 65.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.426 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 65.9 t80 -58.98 -49.73 76.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.776 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . 0.454 ' HE1' ' HG3' ' B' ' 41' ' ' MET . 78.3 mmm -61.5 -32.42 72.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.348 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' B' ' 21' ' ' ASN . 72.5 mm-40 -62.64 -43.61 98.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.19 -31.86 41.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.77 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' B' ' 33' ' ' PHE . 48.0 tp -76.19 -19.66 58.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.702 -0.293 . . . . 0.0 111.377 -177.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -61.28 -13.22 17.24 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.4 m -138.78 37.11 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.843 0.354 . . . . 0.0 111.364 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.8 mmt -90.14 138.62 27.3 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.497 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.91 -25.69 67.12 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.4 2.734 . . . . 0.0 113.447 -173.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.46 2.2 88.11 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' B' ' 27' ' ' LEU . 28.2 m-85 -122.5 169.66 10.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -131.44 161.45 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.303 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -36.41 75.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.5 t -58.51 -42.82 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.27 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -74.18 -46.71 40.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.478 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' B' ' 33' ' ' PHE . 4.4 mm? -58.91 -40.32 84.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.588 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.56 -37.34 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.751 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -92.76 -37.74 12.18 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.476 -0.489 . . . . 0.0 111.203 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' B' ' 24' ' ' MET . 18.8 ptm -70.29 -22.98 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.2 t -64.32 -27.32 68.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.052 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 30.4 m -72.61 -32.05 65.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.846 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mt -66.8 -38.9 82.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.29 -57.43 6.83 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.277 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -74.29 -5.82 44.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 -176.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.444 ' HA ' HE21 ' B' ' 50' ' ' GLN . 71.1 m -87.26 -35.93 18.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.56 175.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.464 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 83.5 mmm -69.07 -35.75 76.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.725 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 m -64.94 -29.71 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.476 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' B' ' 47' ' ' SER . 47.1 mt-30 -69.45 -38.36 77.77 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.444 178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 47' ' ' SER . 4.3 m -59.13 -47.66 84.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.229 0.537 . . . . 0.0 109.955 176.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.38 -51.9 67.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.117 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.31 -38.99 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.854 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.1 m -64.6 -38.29 90.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.531 HD21 HE22 ' A' ' 46' ' ' GLN . 85.8 mt -69.09 -36.16 77.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.71 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.58 -42.34 82.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.4 63.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -96.1 -0.52 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.18 39.66 92.45 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.81 177.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -117.72 9.98 13.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.068 0.461 . . . . 0.0 110.612 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -85.84 140.24 30.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.307 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 87.4 p -143.57 156.85 59.84 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.12 -30.08 69.01 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.589 2.193 . . . . 0.0 111.874 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.63 -55.0 11.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.82 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -75.06 -21.58 58.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.699 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.42 -41.26 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 171.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.6 tt0 -63.5 -45.28 91.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.762 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.06 -36.65 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.146 0.498 . . . . 0.0 111.278 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -71.94 -9.11 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.566 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -77.58 -44.43 28.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 95.1 mmm -74.0 -38.7 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.358 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.71 -32.77 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.112 0.482 . . . . 0.0 111.256 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.408 ' N ' ' HE2' ' B' ' 48' ' ' MET . 72.6 t80 -76.42 -44.63 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.073 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.457 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.32 -36.37 77.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -75.13 -37.64 61.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.186 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 3.8 t -69.5 -31.01 69.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.464 0.649 . . . . 0.0 110.445 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.478 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.5 mmt -76.01 -17.84 59.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.954 0.407 . . . . 0.0 110.167 176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.32 -38.02 31.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.95 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.7 pt-20 -67.53 -44.68 77.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mt -63.53 -38.06 81.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 CA-C-O 121.306 0.574 . . . . 0.0 110.282 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.41 -53.32 19.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.971 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.08 -37.67 61.87 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -62.76 -73.71 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.573 -176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.67 131.51 35.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.91 0.386 . . . . 0.0 111.116 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -83.1 -31.39 27.3 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 122.086 0.946 . . . . 0.0 110.781 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.08 -119.35 15.65 Favored Glycine 0 C--N 1.296 -1.684 0 CA-C-N 113.459 -1.7 . . . . 0.0 112.479 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.02 18.22 19.13 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.491 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.37 163.85 21.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.574 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 17.1 t -81.35 172.66 13.31 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.47 -39.89 89.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.451 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -69.78 -35.25 74.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.102 0.477 . . . . 0.0 110.55 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.5 m -64.75 -53.14 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.098 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 89' ' ' SER . 19.4 ptmt -63.96 -41.4 97.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.44 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 62.8 m -62.18 -45.51 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.078 0.466 . . . . 0.0 110.611 178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 23.2 t -70.15 -25.1 63.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.2 m -62.63 -44.03 97.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.612 0.244 . . . . 0.0 111.204 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.08 -46.18 85.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.56 -40.2 71.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.116 0.484 . . . . 0.0 110.774 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 73.4 m -60.0 -55.14 37.71 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.291 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.76 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.751 -175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.7 mmt -64.11 -44.48 92.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 25.3 m -58.39 -39.58 80.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.941 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.4 t30 -65.86 -43.57 88.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.132 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.39 75.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.696 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.561 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 42.9 m-85 -68.41 -35.32 77.48 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.276 0.56 . . . . 0.0 110.949 177.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 102' ' ' SER . 96.5 mt -71.46 -24.93 62.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.721 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 72.4 mm-40 -83.62 -31.25 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.931 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.89 -71.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.677 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.434 HG23 ' H ' ' B' ' 111' ' ' VAL . 6.6 t -98.42 -30.93 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.304 -176.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.63 8.41 24.64 Favored Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.3 -0.953 . . . . 0.0 111.62 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.1 p -147.59 149.31 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.431 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.0 p -108.24 129.76 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.415 0.626 . . . . 0.0 111.918 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.475 ' O ' HG12 ' B' ' 117' ' ' ILE . 26.3 t-20 -79.1 122.15 25.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.222 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.464 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 97.9 mt-30 -70.39 -53.48 10.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -173.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 3.0 Cg_endo -45.32 -50.74 8.71 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.256 1.971 . . . . 0.0 112.707 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.466 ' O ' HG12 ' B' ' 120' ' ' ILE . 38.0 t80 -50.13 -51.77 40.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 123.655 0.597 . . . . 0.0 111.159 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.475 HG12 ' O ' ' B' ' 113' ' ' ASN . 33.2 mm -63.34 -37.82 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -177.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -80.15 -4.57 53.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.463 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -93.8 -31.81 14.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 110.62 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' B' ' 116' ' ' PHE . 27.1 mm -64.65 -31.82 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 -177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 12.1 p -61.23 -29.06 69.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.328 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -81.01 -33.73 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.637 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.11 -55.14 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.354 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.17 -30.05 47.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.0 0.429 . . . . 0.0 111.231 -176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 13.2 t -75.66 -37.45 59.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.48 -37.07 63.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -70.78 -15.79 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.37 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.499 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.82 -29.88 61.22 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.588 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.88 -66.83 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.593 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.94 43.06 99.7 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.829 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.87 0.53 10.83 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.562 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -102.94 -34.99 8.75 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.8 0.81 . . . . 0.0 109.775 -178.05 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -88.16 -48.98 7.3 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.88 -176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.0 m 38.1 35.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 124.663 1.227 . . . . 0.0 113.88 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 53.8 m 58.58 27.25 15.44 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.921 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.924 177.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -93.53 95.03 8.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.113 0.483 . . . . 0.0 110.314 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.02 51.23 0.73 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -71.76 100.43 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.858 0.361 . . . . 0.0 110.385 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' B' ' 137' ' ' ALA . 50.7 m -69.82 114.36 7.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.429 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.441 ' NE2' ' HB1' ' B' ' 137' ' ' ALA . 26.2 p80 -123.3 -173.95 2.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.75 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -97.83 175.21 6.24 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.784 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 11' ' ' THR . 21.4 p -131.66 160.1 68.96 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.334 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.8 0.53 6.28 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.382 2.054 . . . . 0.0 112.694 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -126.75 20.69 7.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.717 0.294 . . . . 0.0 111.397 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.45 HG23 HD22 ' A' ' 12' ' ' ASN . 7.2 t -70.28 -32.35 70.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.192 0.52 . . . . 0.0 110.671 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.45 HD22 HG23 ' A' ' 11' ' ' THR . 11.9 p30 -143.83 153.61 57.82 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.642 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 73.6 Cg_exo -52.78 -33.53 60.87 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.084 2.522 . . . . 0.0 112.773 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.61 -48.25 87.12 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.804 -177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.0 mt -74.45 -31.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.664 -0.315 . . . . 0.0 110.556 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.968 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 8.5 pt-20 -71.29 -36.62 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.706 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.95 -40.74 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.982 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -54.13 -45.05 71.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.718 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.2 mtt -70.34 -42.52 71.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.529 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -63.29 -41.37 98.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.985 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.522 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 43.5 m -75.51 -10.37 59.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.321 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -91.99 -51.54 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.284 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.436 ' HB3' ' HE3' ' A' ' 24' ' ' MET . 86.9 mmm -59.36 -38.67 81.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 8.4 pt20 -60.34 -36.78 78.79 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.811 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.38 -42.15 12.29 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -66.05 -31.82 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.666 0.27 . . . . 0.0 111.051 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -72.4 -2.86 20.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.028 0.442 . . . . 0.0 110.666 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -116.54 12.95 15.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 24.7 mmt -100.62 155.53 36.25 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.698 -177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.14 161.27 35.59 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.367 2.045 . . . . 0.0 111.409 174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.531 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 92.8 -41.84 2.7 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.254 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.509 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 79.1 m-85 -93.33 156.09 17.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 p -130.46 167.38 18.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.617 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.1 69.95 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 t -69.68 -43.92 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.652 0.263 . . . . 0.0 110.712 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -70.59 -36.9 73.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 111.009 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 3.1 mm? -60.56 -36.97 79.76 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.58 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -60.19 -42.12 94.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.47 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.56 -37.48 73.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 0.0 110.176 -172.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.8 ptm -83.93 -28.27 27.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.358 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 m -67.1 -29.08 68.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.763 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -61.05 -39.66 90.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' ILE . 59.2 mt -72.11 -39.56 65.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.146 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.76 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.8 -15.72 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.419 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.3 m -78.81 -39.44 35.62 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.441 ' O ' HG13 ' A' ' 52' ' ' ILE . 82.8 mmm -60.99 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.642 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 m -61.83 -36.94 76.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.069 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -76.8 -29.33 55.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.871 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -66.5 -46.85 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.853 0.358 . . . . 0.0 110.109 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 48' ' ' MET . 66.3 mt -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.386 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.48 -32.18 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.457 -176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -70.27 -33.46 71.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.586 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.483 HD22 ' HG3' ' A' ' 60' ' ' ARG . 95.7 mt -68.37 -34.45 76.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.42 . . . . 0.0 109.98 175.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.72 76.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.804 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.24 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.617 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -70.54 -38.84 74.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.921 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.26 31.21 5.67 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.206 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' HG3' HD22 ' A' ' 55' ' ' LEU . 2.6 ptm180 -119.08 21.03 12.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.202 0.525 . . . . 0.0 110.626 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.0 128.47 33.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.933 177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.4 m -130.08 149.42 73.17 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.84 -28.76 59.78 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.617 2.211 . . . . 0.0 111.318 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.48 -58.98 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.887 175.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HD3' ' HB ' ' B' ' 43' ' ' THR . 30.3 mtmm -71.22 -27.51 63.53 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.619 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.8 -31.7 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.281 0.563 . . . . 0.0 109.78 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -82.85 -39.71 21.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.065 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . . . -73.15 -3.68 28.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.027 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 mt -115.11 13.14 16.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.494 0.664 . . . . 0.0 109.545 173.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -101.11 -48.91 4.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.942 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.592 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 93.6 mmm -74.37 -33.3 63.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.457 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -36.95 63.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.364 0.602 . . . . 0.0 110.994 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -68.71 -48.35 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.956 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.47 86.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.719 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.9 p -71.81 -45.23 62.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.957 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -59.38 -43.03 92.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.058 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.474 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 28.9 mmt -70.76 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 111.166 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.61 -46.08 23.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.638 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -70.96 -34.67 71.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.42 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.519 HD11 HD12 ' A' ' 44' ' ' ILE . 16.7 mt -59.1 -44.59 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.245 0.545 . . . . 0.0 109.95 173.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.84 -40.14 79.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.997 179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.45 71.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.764 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.3 m -81.42 -57.79 3.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.846 -176.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -120.04 161.41 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.425 0.631 . . . . 0.0 111.684 -174.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -140.69 156.97 46.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.46 -13.31 38.79 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.369 -0.919 . . . . 0.0 112.433 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.28 -39.84 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.472 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.531 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -78.01 151.25 36.83 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.196 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -71.39 171.25 11.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.359 . . . . 0.0 111.114 -175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . 50.0 tp -58.95 -42.41 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.228 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -57.37 -41.14 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.185 0.516 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.4 m -64.24 -48.36 76.08 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.547 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' NZ ' ' HA ' ' A' ' 90' ' ' LEU . 36.0 mtmm -60.51 -47.95 83.92 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.006 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.3 m -55.04 -47.12 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.072 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 m -67.44 -38.63 84.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.275 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m -57.51 -45.33 85.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.049 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 101' ' ' MET . 66.3 mt -65.44 -50.28 73.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.514 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.28 88.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.266 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -61.11 -45.54 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.547 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.23 -37.22 86.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.018 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.9 mmt -61.94 -45.9 91.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.216 0.532 . . . . 0.0 110.049 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.0 p -73.11 -1.66 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.578 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.7 OUTLIER -115.16 -25.29 8.14 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.508 174.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.35 -36.29 81.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.548 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 32.4 m-85 -61.1 -34.2 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.483 0.659 . . . . 0.0 110.54 176.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 106' ' ' LEU . 5.9 mp -78.06 -19.28 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.319 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 27.5 mm-40 -78.84 -30.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -94.88 -77.52 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.007 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 111' ' ' VAL . 2.2 t -86.24 -28.05 24.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.324 -176.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.56 9.0 51.43 Favored Glycine 0 CA--C 1.506 -0.529 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.321 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.1 p -146.6 148.08 17.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.198 -0.501 . . . . 0.0 109.685 -178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -124.15 140.25 48.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.79 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 14.8 t-20 -97.52 118.15 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.525 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 34.2 tt0 -61.04 -51.27 80.25 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -171.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.613 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 70.4 Cg_exo -52.27 -37.6 70.98 Favored 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.119 1.879 . . . . 0.0 112.658 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 17.6 t80 -55.61 -49.81 71.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.14 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.24 -31.94 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.671 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.74 -49.57 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.217 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' B' ' 130' ' ' ALA . 0.5 OUTLIER -60.9 -32.41 71.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.672 -179.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 44.1 mm -61.74 -43.11 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.528 0.204 . . . . 0.0 111.242 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.6 p -62.94 -31.01 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.32 0.581 . . . . 0.0 110.782 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -74.74 -34.29 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 126' ' ' MET . 95.6 mt -60.71 -50.31 73.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.909 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 t -59.29 -38.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.7 t -73.38 -47.15 44.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.578 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 28.3 ptm -59.74 -40.88 89.59 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -173.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -67.54 -27.28 66.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.629 0.252 . . . . 0.0 111.243 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.0 66.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 0.0 111.412 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.37 -23.87 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.754 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.91 -49.58 8.37 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.363 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.11 88.41 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.246 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -82.46 9.77 8.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.855 0.836 . . . . 0.0 110.545 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.5 -37.62 10.81 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.749 175.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.07 -37.8 45.79 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.631 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 135' ' ' VAL . 35.8 m 40.02 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 124.764 1.29 . . . . 0.0 112.109 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.6 m -70.0 66.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.799 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.921 178.439 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.16 0 N-CA-C 112.086 -0.406 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -135.9 161.39 35.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.27 104.52 0.94 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.866 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -96.95 116.6 29.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.655 0.74 . . . . 0.0 109.927 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -74.94 78.09 2.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.93 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -81.95 156.78 24.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.814 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -89.8 176.59 6.78 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.709 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' B' ' 9' ' ' PRO . 40.1 p -118.54 148.47 44.2 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.743 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 8' ' ' THR . 27.8 Cg_exo -63.23 -21.7 72.25 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.531 2.154 . . . . 0.0 112.588 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 30.5 p90 -105.31 18.6 22.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.411 HG23 HD22 ' B' ' 12' ' ' ASN . 13.0 t -69.58 -23.38 63.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.109 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.411 HD22 HG23 ' B' ' 11' ' ' THR . 11.3 p30 -139.99 148.48 55.09 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.83 -35.02 87.4 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.349 2.699 . . . . 0.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.2 20.95 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.542 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -64.51 -32.79 74.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.589 0.233 . . . . 0.0 110.683 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.39 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.564 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.7 -31.7 52.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.334 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.88 -38.05 84.29 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.482 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -55.5 -45.15 77.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.28 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mtt -67.74 -36.01 79.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.069 0.461 . . . . 0.0 110.352 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -61.49 -51.11 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.738 177.511 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 26.9 m -63.28 -38.58 91.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -58.31 -51.16 70.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.356 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.8 mmm -62.03 -36.65 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.377 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 51.9 mt-30 -62.99 -43.32 99.11 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.178 0.513 . . . . 0.0 110.203 177.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -69.47 -43.62 68.41 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.217 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.63 -33.65 75.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 27.3 t -73.66 7.72 2.29 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.086 0.469 . . . . 0.0 110.565 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -127.55 20.25 6.69 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.911 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 25.0 mmt -107.79 151.82 41.31 Favored Pre-proline 0 N--CA 1.456 -0.16 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.62 -177.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.82 167.22 22.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.442 2.095 . . . . 0.0 111.796 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.68 -42.6 3.17 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.684 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -81.84 142.63 32.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.072 0.463 . . . . 0.0 111.225 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -99.17 151.47 20.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.24 70.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 32.7 t -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.832 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.48 -40.61 57.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.797 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.7 -36.15 71.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.3 -28.72 67.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.304 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -85.26 -43.61 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.496 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -72.11 -21.65 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.929 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.3 t -60.98 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.521 ' HB ' ' HD3' ' A' ' 65' ' ' LYS . 5.7 m -66.92 -38.84 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.679 0.276 . . . . 0.0 110.76 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.513 HD12 HD11 ' B' ' 80' ' ' ILE . 33.8 mt -68.46 -31.96 53.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.13 0.49 . . . . 0.0 110.203 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.22 97.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.935 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.85 -12.56 57.33 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -176.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.1 p -89.41 -33.11 16.96 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.537 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.511 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 74.5 mmm -66.7 -43.38 84.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.645 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.86 -40.97 90.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -64.26 -38.46 91.13 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.972 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 50.5 m -60.24 -49.61 76.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.831 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.53 -52.4 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.466 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.9 -34.7 77.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.58 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 40.5 m -72.74 -37.26 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.68 0.276 . . . . 0.0 110.532 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 51' ' ' SER . 88.9 mt -65.01 -34.17 77.79 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.67 64.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.0 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.14 92.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -75.12 -24.25 58.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.249 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 54.12 2.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.412 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.96 29.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.881 0.372 . . . . 0.0 110.737 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 127.11 33.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.978 0.418 . . . . 0.0 110.936 176.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 12.7 m -124.6 155.08 69.9 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.83 -39.25 90.85 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.737 2.291 . . . . 0.0 111.84 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.84 -56.12 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -62.48 -30.76 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 63.1 mt -69.29 -36.01 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 110.347 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -73.84 -42.58 60.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.083 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.638 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -60.5 -41.96 95.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.267 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.02 3.93 21.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.202 0.525 . . . . 0.0 110.346 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.4 -48.43 6.66 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.474 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 87.8 mmm -71.69 -36.09 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.712 176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.52 -52.88 43.24 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.139 0.275 . . . . 0.0 111.082 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.511 ' N ' ' HE2' ' B' ' 48' ' ' MET . 75.5 t80 -57.07 -46.14 82.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.994 0.426 . . . . 0.0 110.689 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.558 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -39.43 91.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.205 -178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -72.76 -38.05 67.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.522 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.498 ' O ' HG13 ' B' ' 80' ' ' ILE . 18.3 m -62.61 -38.05 88.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.151 0.501 . . . . 0.0 110.802 177.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.518 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 28.8 mmt -72.78 -24.8 60.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.038 0.447 . . . . 0.0 110.438 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.14 -47.28 37.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.806 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.592 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 9.3 pt-20 -64.55 -37.46 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.513 HD11 HD12 ' B' ' 44' ' ' ILE . 21.8 mt -62.49 -40.39 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -42.8 57.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.505 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.21 -36.95 82.77 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.987 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 54.9 m -71.08 -56.78 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -107.0 120.13 41.23 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.827 0.822 . . . . 0.0 111.22 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.58 158.28 31.29 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.587 175.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.71 -40.39 0.5 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.201 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 161.89 -35.88 0.37 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.102 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.58 151.33 23.19 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.224 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 30.4 m -57.16 150.77 16.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.748 0.274 . . . . 0.0 110.671 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' HZ3' ' B' ' 93' ' ' LYS . 53.7 tp -58.34 -43.61 88.37 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.457 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m -56.09 -34.65 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.4 m -67.97 -50.03 58.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.436 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.435 ' HZ3' ' HA ' ' B' ' 90' ' ' LEU . 36.7 mtmm -60.18 -46.86 88.26 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.148 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 52.8 m -53.93 -42.19 68.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.31 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -70.91 -37.89 72.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.73 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.4 m -60.04 -44.14 94.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' B' ' 101' ' ' MET . 56.2 mt -64.68 -48.19 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.595 177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.55 88.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 18.5 t -60.48 -46.99 88.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.465 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.622 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -64.93 -32.52 74.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.36 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.1 mmt -65.56 -49.21 69.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.086 0.47 . . . . 0.0 110.187 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 8.4 p -65.68 -34.53 78.42 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -175.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.622 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.2 p-10 -79.77 -24.53 41.44 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.365 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.75 73.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.142 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.4 m-85 -63.6 -32.37 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.335 0.588 . . . . 0.0 110.399 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.62 -12.27 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.959 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -92.02 -33.45 14.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.442 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -89.19 -70.31 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.928 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 13.2 p -84.88 -37.8 20.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.055 0.455 . . . . 0.0 111.052 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.62 -0.34 34.45 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.0 p -142.34 149.65 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -106.46 124.39 61.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.337 0.589 . . . . 0.0 111.559 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.549 HD22 ' HB2' ' B' ' 116' ' ' PHE . 10.6 t30 -74.34 101.31 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.045 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 33.0 tt0 -56.81 -49.76 91.98 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -173.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 13.5 Cg_endo -58.34 -7.75 4.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 122.497 2.131 . . . . 0.0 113.572 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.658 ' O ' HG12 ' B' ' 120' ' ' ILE . 56.7 t80 -84.89 -46.24 11.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.0 mm -66.47 -37.83 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.051 -175.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.32 -42.99 99.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.064 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' B' ' 122' ' ' GLN . 0.3 OUTLIER -69.62 -31.13 69.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.488 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.8 mm -62.44 -45.09 99.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.488 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 41.5 p -60.64 -35.52 76.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.548 . . . . 0.0 110.824 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' B' ' 119' ' ' GLU . 14.9 mt-30 -70.07 -41.25 74.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.559 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.9 -56.33 23.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.305 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.37 -34.39 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 25.1 m -76.5 -56.5 4.57 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.359 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -56.25 -33.79 65.77 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.83 -20.51 66.27 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.779 0.323 . . . . 0.0 111.111 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.82 -29.11 65.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.236 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.88 -24.41 41.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.048 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 119' ' ' GLU . . . -61.31 -51.58 68.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.29 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.86 27.89 73.16 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.962 176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -85.26 20.49 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.925 0.869 . . . . 0.0 110.552 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.14 -39.43 4.18 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.958 -1.473 . . . . 0.0 109.566 -178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -71.95 -59.86 2.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.438 -1.256 . . . . 0.0 109.446 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.485 ' O ' HG23 ' B' ' 135' ' ' VAL . 33.2 m 24.17 84.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 125.079 1.487 . . . . 0.0 113.898 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 41.1 m -72.69 62.03 0.55 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.463 172.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.453 ' C ' ' HA ' ' A' ' 5' ' ' SER . . . . . . . . 0 C--O 1.252 1.187 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.752 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -88.24 100.23 12.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.921 0.391 . . . . 0.0 110.072 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.92 109.37 2.84 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.724 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -116.5 50.28 1.07 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -60.16 98.49 0.06 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.463 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -83.82 -32.19 25.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.701 -174.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 t -171.85 161.0 5.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.315 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 11' ' ' THR . 10.4 p -146.53 157.7 47.89 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.66 -12.41 31.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.511 2.141 . . . . 0.0 112.583 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -121.21 17.56 11.54 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 8' ' ' THR . 14.8 t -85.45 -14.59 45.65 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.58 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -137.15 136.5 20.97 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.229 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 69.7 Cg_exo -52.66 -41.6 67.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.068 2.512 . . . . 0.0 112.371 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.4 -48.78 78.11 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.386 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.69 -39.8 94.29 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.595 -0.356 . . . . 0.0 110.641 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.04 90.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.245 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.7 pt-20 -74.98 -28.68 60.65 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.711 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.536 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 60.8 m-20 -69.36 -32.38 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.051 177.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -56.74 -33.23 66.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.6 mmt -69.08 -53.44 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 12.1 p30 -73.7 -26.23 60.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.051 -176.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.1 m -72.08 -19.26 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.217 0.532 . . . . 0.0 110.359 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CE2' HD22 ' A' ' 27' ' ' LEU . 57.7 t80 -84.29 -52.49 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.918 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.7 mmm -60.3 -34.94 74.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.327 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -67.39 -27.91 67.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.692 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -35.91 9.94 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD22 ' CE2' ' A' ' 23' ' ' PHE . 23.8 tp -65.91 -32.38 73.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.77 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -66.06 -13.48 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -96.69 1.22 50.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.261 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.0 mmt -97.86 140.14 21.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.143 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.74 -27.5 18.09 Favored 'Trans proline' 0 N--CA 1.471 0.156 0 C-N-CA 122.88 2.387 . . . . 0.0 113.059 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.56 73.03 Favored Glycine 0 CA--C 1.517 0.171 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.21 -172.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -106.97 141.31 38.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.29 0.567 . . . . 0.0 111.801 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.4 p -102.98 173.42 6.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.17 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.51 74.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -60.13 -46.46 89.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.408 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.79 -45.42 61.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.671 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.03 -39.63 94.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.968 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -70.6 -46.57 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 109.786 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.404 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 9.5 ptm -78.21 -24.89 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.167 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -64.98 -21.4 66.84 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 m -63.73 -43.69 95.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.0 mt -75.92 -34.06 26.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.227 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.98 61.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 2.1 pt20 -80.15 -21.79 42.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.074 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.7 t -65.06 -42.78 93.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 52' ' ' ILE . 89.3 mmm -62.8 -47.78 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.723 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' GLN . 14.8 m -63.94 -38.21 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.46 -177.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -71.49 -33.84 69.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.721 0.296 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.4 m -66.91 -42.17 85.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.975 174.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 48' ' ' MET . 77.0 mt -57.43 -50.08 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.035 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.612 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.14 -36.64 82.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.417 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -66.59 -34.84 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.976 0.417 . . . . 0.0 110.577 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.84 -33.83 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.806 0.336 . . . . 0.0 110.376 177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.25 84.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.184 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.12 77.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.252 0.548 . . . . 0.0 110.731 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -78.53 -17.57 56.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.27 29.61 52.86 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.248 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 60' ' ' ARG . 7.1 ptm180 -113.06 21.9 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.482 0.658 . . . . 0.0 110.484 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -92.95 118.24 30.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.898 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 m -118.03 162.37 29.87 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -53.35 -44.51 48.37 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.302 2.001 . . . . 0.0 111.852 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -73.02 -25.78 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.894 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 8.9 tppt? -69.79 -47.73 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 0.0 109.685 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 mt -68.39 -36.78 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.742 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' B' ' 133' ' ' ASN . 34.1 tt0 -54.93 -49.38 71.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.754 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -59.98 -35.84 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.298 0.57 . . . . 0.0 110.689 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.08 -4.92 46.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.448 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -84.87 -47.42 10.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.512 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 92.6 mmm -79.19 -30.15 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -178.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -60.01 -34.83 73.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 109.88 171.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -72.07 -44.36 63.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.936 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.72 176.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.1 t -66.32 -51.21 59.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.65 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.558 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.6 p -61.4 -39.31 90.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.974 0.416 . . . . 0.0 111.282 -176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 29.2 mmt -69.34 -30.75 68.85 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.449 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.58 -44.58 50.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.51 ' CD ' ' HB2' ' B' ' 71' ' ' MET . 7.7 pt-20 -67.53 -32.71 73.69 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.379 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 76' ' ' SER . 17.1 mt -67.74 -48.38 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.974 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.01 81.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.832 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.487 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -75.68 -77.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.231 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 170.4 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.101 0.477 . . . . 0.0 111.87 -173.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -163.61 -154.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.266 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.0 -26.49 1.28 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.76 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.83 -1.04 42.49 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.984 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 180.0 179.13 48.8 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.056 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.6 m -85.57 -175.72 5.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.659 0.266 . . . . 0.0 110.577 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 50.9 tp -54.0 -42.54 69.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -70.32 -37.61 74.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.088 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -63.67 -53.53 49.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.324 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.3 pttt -68.41 -31.14 70.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 m -67.64 -47.53 69.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.638 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.1 m -65.76 -28.73 69.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -61.99 -43.94 97.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.619 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.1 mt -68.98 -42.41 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.743 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -46.99 81.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.729 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -68.12 -42.06 80.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.496 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.648 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -65.62 -36.39 83.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 mmt -64.77 -35.37 80.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.029 0.442 . . . . 0.0 110.031 175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.4 m -67.28 -51.85 47.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.835 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.648 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.5 p-10 -66.71 -27.84 67.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.007 -173.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.18 69.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.483 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.551 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 18.1 m-85 -71.01 -35.16 71.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 110.85 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 106' ' ' LEU . 6.6 mp -74.35 -16.93 60.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.164 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 74.8 mm-40 -89.14 -27.35 20.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -65.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.601 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -96.99 -32.12 12.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.921 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.12 6.43 25.97 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.452 -0.88 . . . . 0.0 111.718 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.7 p -155.75 153.76 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 120.615 0.245 . . . . 0.0 110.371 -177.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.8 p -121.71 137.39 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -75.74 -96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.511 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 50.1 tt0 -179.58 -57.96 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 119.308 -0.377 . . . . 0.0 111.5 173.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 26.9 Cg_exo -60.98 -26.71 83.64 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 121.947 1.765 . . . . 0.0 112.585 -170.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.513 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.07 -43.17 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.198 0.523 . . . . 0.0 109.751 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.7 mm -70.65 -30.98 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' ' 115' ' ' PRO . 16.8 m120 -62.55 -46.05 90.15 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 36.6 mm-40 -60.0 -41.38 91.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 116' ' ' PHE . 29.0 mm -59.1 -44.45 91.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 -178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.0 p -67.35 -28.41 67.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.08 -41.49 64.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.305 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -60.09 -53.7 54.67 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.509 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.86 -35.79 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.248 0.546 . . . . 0.0 110.595 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -70.53 -47.89 58.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.291 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.1 ptm -66.92 -39.0 87.25 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.55 -23.08 67.24 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 111.272 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.32 98.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.08 -29.15 43.2 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.792 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.54 69.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.799 175.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.35 23.79 64.89 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.247 173.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -82.39 4.03 25.65 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.064 0.935 . . . . 0.0 110.328 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.438 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -92.33 -42.32 9.87 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 113.762 -1.563 . . . . 0.0 110.123 175.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.87 -35.07 13.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 18.8 m 43.88 96.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.585 1.154 . . . . 0.0 113.448 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 m -70.85 52.63 0.15 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.771 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.491 -177.539 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.001 -0.44 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -138.94 143.92 38.82 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.6 62.4 4.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.126 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -121.05 94.4 4.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 31.9 t -108.27 130.94 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.017 0.436 . . . . 0.0 110.669 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.471 ' O ' ' HB ' ' B' ' 7' ' ' THR . 67.8 t60 -101.41 -56.75 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 6' ' ' HIS . 5.0 t 177.22 164.45 0.54 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.317 173.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -120.04 159.2 48.05 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.349 0.119 . . . . 0.0 110.801 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.86 -15.36 46.92 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.511 2.141 . . . . 0.0 112.478 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 28.0 p90 -116.77 22.85 12.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.676 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.427 HG23 HD22 ' B' ' 12' ' ' ASN . 9.0 t -68.26 -27.1 66.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.477 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.427 HD22 HG23 ' B' ' 11' ' ' THR . 12.3 p30 -145.97 153.63 49.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.74 -35.0 67.24 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.09 2.527 . . . . 0.0 113.042 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.19 -51.25 60.32 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.794 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.6 -32.29 72.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.504 -0.409 . . . . 0.0 110.637 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.95 77.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.224 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.41 -27.26 63.18 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 110.828 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.467 ' HA ' HD21 ' B' ' 21' ' ' ASN . 43.4 m-20 -65.68 -38.71 90.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -58.96 -38.15 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.725 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -64.66 -56.07 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.857 -176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.467 HD21 ' HA ' ' B' ' 18' ' ' ASN . 10.4 p30 -72.67 -29.78 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.243 -174.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.438 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 35.6 t -68.7 -25.9 65.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 110.399 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -75.23 -51.38 13.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.958 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 85.4 mmm -61.57 -36.16 79.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.142 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -71.42 -27.13 63.08 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.41 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.21 -35.8 14.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.36 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.8 tp -69.41 -29.08 66.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.644 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' B' ' 38' ' ' LEU . 20.4 t -69.51 3.96 2.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.903 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -119.99 9.07 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.355 0.598 . . . . 0.0 109.93 177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 25.7 mmt -95.85 141.01 22.57 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.3 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.83 -23.81 30.06 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.677 2.251 . . . . 0.0 112.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.94 70.97 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.672 -0.695 . . . . 0.0 113.21 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -126.16 133.31 51.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.0 0.428 . . . . 0.0 111.02 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.422 HG23 ' HA3' ' B' ' 86' ' ' GLY . 24.3 p -99.06 170.27 8.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.96 -29.33 67.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.728 0.299 . . . . 0.0 111.338 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -73.89 -37.53 64.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -74.86 -40.59 60.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.436 0.636 . . . . 0.0 110.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' B' ' 28' ' ' SER . 76.8 mt -65.49 -24.62 67.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.436 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -35.86 81.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.821 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.48 -42.0 13.11 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.803 -174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 12.4 ptm -71.14 -22.85 62.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -64.79 -12.41 47.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.2 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.5 m -74.88 -17.65 60.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.672 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.404 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 50.9 mt -96.36 -26.32 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.4 0.619 . . . . 0.0 109.923 177.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.21 -56.3 13.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.345 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.26 0.16 45.14 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 5.5 p -86.89 -42.14 13.45 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.294 173.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 67.1 mmm -59.04 -38.56 79.62 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.726 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 m -66.2 -34.32 69.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -74.69 -36.06 62.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.494 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.41 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 14.1 m -61.46 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 174.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.09 -48.35 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.771 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.88 -37.42 79.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.258 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -34.32 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' B' ' 60' ' ' ARG . 97.1 mt -70.74 -36.13 73.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.848 0.356 . . . . 0.0 110.46 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -39.14 70.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.034 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.5 -29.22 67.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.457 ' HB2' ' HD3' ' B' ' 60' ' ' ARG . 49.8 mt-30 -87.75 -31.45 19.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.317 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.6 31.69 5.4 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.583 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.457 ' HD3' ' HB2' ' B' ' 58' ' ' GLN . 0.0 OUTLIER -112.85 17.54 18.9 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.133 0.492 . . . . 0.0 110.566 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.415 HG22 HD21 ' B' ' 66' ' ' LEU . 0.8 OUTLIER -77.21 123.12 25.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.121 178.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 37.8 p -138.57 164.72 37.99 Favored Pre-proline 0 C--N 1.315 -0.933 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 11.2 Cg_endo -53.34 -36.35 78.36 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.162 1.908 . . . . 0.0 111.849 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.83 -42.41 40.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -61.3 -44.77 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.84 0.352 . . . . 0.0 110.834 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.415 HD21 HG22 ' B' ' 61' ' ' THR . 93.0 mt -69.17 -39.43 78.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 34.5 tt0 -64.35 -40.03 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.145 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.69 0.18 9.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 111.826 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 mt -111.65 11.6 21.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.171 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -54.21 4.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.325 176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.51 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 91.7 mmm -75.97 -29.6 58.31 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.295 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.08 -31.21 61.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.89 0.376 . . . . 0.0 111.186 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -83.19 -44.81 14.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.453 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -60.95 -37.78 83.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -77.56 -35.0 53.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.608 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.5 p -71.53 -33.02 68.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 0.0 110.651 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.551 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.6 mmt -71.26 -25.75 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 -43.9 50.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.068 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.637 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 14.9 pt-20 -66.06 -39.85 90.43 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 76' ' ' SER . 20.3 mt -61.46 -39.98 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.491 0.662 . . . . 0.0 109.285 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.507 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -72.0 -40.65 68.36 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.311 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.08 38.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.921 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -105.41 -68.08 0.88 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 110.793 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.91 163.85 13.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.326 -174.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.613 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 7.9 pt-20 -155.68 164.77 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.067 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.422 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -99.07 -99.02 2.16 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.114 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.03 11.05 29.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.096 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.41 142.83 14.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.664 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.9 m -78.72 -172.38 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.238 0.215 . . . . 0.0 111.124 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.551 ' HA ' ' CD ' ' B' ' 93' ' ' LYS . 49.0 tp -56.97 -35.09 68.75 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.738 0.304 . . . . 0.0 111.785 -175.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -77.16 -20.36 55.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.056 0.455 . . . . 0.0 110.935 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.5 m -89.65 -50.63 5.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.369 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.613 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 14.7 ptmt -60.34 -39.24 86.42 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.606 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 32.9 m -64.91 -43.61 92.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.221 0.534 . . . . 0.0 110.705 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -67.59 -35.19 78.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.659 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.6 m -58.06 -48.46 80.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.171 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mt -67.46 -40.26 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.743 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.0 83.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.337 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 33.3 t -77.09 -22.73 52.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.04 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -87.62 -32.25 19.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.303 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.7 mmt -67.56 -39.08 84.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.191 0.52 . . . . 0.0 110.257 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.2 p -69.32 -48.88 60.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.56 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 1.3 p-10 -65.27 -22.2 66.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.162 -173.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.49 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -73.05 -33.16 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.804 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.425 HD11 HG12 ' B' ' 112' ' ' VAL . 6.9 mp -75.04 2.72 9.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 75.6 mm-40 -99.24 -47.67 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.286 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 8.2 p -78.95 -66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.173 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 11.5 p -82.85 -38.56 22.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.47 8.53 40.45 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 p -157.81 148.64 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.764 -0.718 . . . . 0.0 109.753 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.425 HG12 HD11 ' B' ' 106' ' ' LEU . 2.2 p -111.29 132.58 59.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.778 178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.38 -91.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.867 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.552 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 38.7 tt0 178.99 -60.28 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 21.0 Cg_exo -65.26 -34.81 43.63 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.824 1.682 . . . . 0.0 112.842 -171.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.585 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.8 t80 -54.01 -50.07 67.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.341 -176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.56 -33.29 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.727 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -67.45 -33.47 75.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 27.0 mm-40 -73.9 -36.24 64.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.832 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 116' ' ' PHE . 33.7 mm -60.35 -44.83 96.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.3 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -62.17 -36.82 83.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.079 0.466 . . . . 0.0 110.793 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -67.7 -40.91 84.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.596 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.8 mt -60.85 -53.72 53.83 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.441 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 120' ' ' ILE . 40.0 t -59.58 -34.18 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.17 0.51 . . . . 0.0 110.806 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 20.5 t -85.63 -20.45 29.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.972 -174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.5 ptm -83.55 -45.06 13.97 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.316 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -63.08 -17.37 62.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 111.072 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.65 -42.72 99.76 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.461 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.403 ' HB2' HE21 ' B' ' 129' ' ' GLN . 1.9 mp0 -74.84 -34.11 62.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.628 0.251 . . . . 0.0 110.599 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.27 -52.56 64.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.038 176.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.06 22.11 64.53 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.05 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -79.76 -1.03 36.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.856 0.836 . . . . 0.0 110.586 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.507 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -89.94 -37.1 14.6 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 113.918 -1.492 . . . . 0.0 109.791 171.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.55 -28.62 26.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.092 -177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' B' ' 137' ' ' ALA . 34.2 m 49.28 95.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.864 1.265 . . . . 0.0 113.495 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 p -79.96 33.1 0.27 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.829 172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.244 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -153.44 171.16 19.1 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.6 13.34 67.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.159 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -92.49 85.63 5.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.383 . . . . 0.0 110.259 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -88.73 170.08 11.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.798 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -100.36 -173.77 2.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -74.28 136.24 42.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p -156.1 153.46 25.56 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.425 -178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.82 -15.3 46.84 Favored 'Trans proline' 0 C--N 1.34 0.086 0 C-N-CA 122.264 1.976 . . . . 0.0 112.597 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 p90 -117.44 14.69 14.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -174.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 8' ' ' THR . 13.3 t -82.95 -23.03 33.61 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.03 176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -128.97 132.07 24.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.21 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.8 -40.37 80.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 111.782 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ASN . . . -58.92 -35.19 81.93 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.983 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.55 -41.83 23.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.751 0.276 . . . . 0.0 110.462 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.72 81.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.677 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -32.73 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.752 0.31 . . . . 0.0 111.34 -178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 0.8 OUTLIER -73.4 -26.04 60.81 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.099 0.476 . . . . 0.0 110.266 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -54.26 -42.93 70.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.985 174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.2 mtt -76.64 -42.14 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -58.96 -44.59 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.395 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 p -74.75 -33.44 62.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -58.28 -48.47 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mmm -59.3 -36.68 76.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.494 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -68.31 -29.4 68.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.297 0.57 . . . . 0.0 111.181 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.77 -30.12 24.62 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.051 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 tp -78.54 -28.4 46.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 0.0 111.044 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' HG ' ' A' ' 38' ' ' LEU . 52.4 p -64.04 -21.81 66.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.1 0.476 . . . . 0.0 111.221 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -104.17 23.95 12.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.563 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.6 mmt -103.24 135.61 19.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.735 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.78 -13.38 32.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.032 2.488 . . . . 0.0 112.452 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.45 -37.1 94.29 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.111 -0.95 . . . . 0.0 113.124 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 77.0 m-85 -109.03 172.07 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.325 0.583 . . . . 0.0 111.902 -173.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.7 p -110.07 162.51 14.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.539 173.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.51 66.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.898 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.646 ' NE2' ' HB2' ' A' ' 84' ' ' GLU . 46.9 mt-30 -69.93 -44.13 70.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.252 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' HA ' ' A' ' 28' ' ' SER . 4.5 mm? -59.2 -33.35 70.86 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.764 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.95 -32.15 68.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 29.7 t70 -81.48 -46.93 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.728 0.299 . . . . 0.0 110.877 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 10.2 ptp -69.24 -22.02 63.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.188 -178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 t -59.38 -32.62 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.097 0.475 . . . . 0.0 110.028 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 m -63.95 -40.63 96.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.59 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -70.29 -42.11 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.233 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 -50.74 48.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.102 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.55 ' HA ' HG22 ' A' ' 49' ' ' VAL . 2.0 pt20 -77.24 -23.86 51.23 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.483 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -66.64 -40.48 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.133 0.492 . . . . 0.0 109.894 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.4 mmm -69.95 -38.87 76.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.983 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 46' ' ' GLN . 13.0 m -72.19 -35.15 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.314 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -69.23 -36.1 76.84 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.68 0.276 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -72.19 -38.47 69.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.709 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' MET . 68.1 mt -59.75 -47.54 90.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 0.0 110.449 174.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.44 -39.43 83.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.763 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -46.05 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.605 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.0 mt -63.27 -32.97 74.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.097 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.3 92.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 0.0 110.441 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -30.88 65.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.058 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 27.1 mt-30 -82.5 -5.41 58.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.272 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.98 41.91 70.31 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.921 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 14.0 mmm180 -111.26 -3.35 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.909 0.385 . . . . 0.0 110.062 -178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -83.52 124.7 31.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.601 0.715 . . . . 0.0 112.556 -172.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.505 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 32.8 m -153.09 162.29 26.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 175.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 3.3 Cg_endo -45.57 -52.59 6.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.173 2.582 . . . . 0.0 113.279 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -64.69 -30.46 71.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 111.2 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 26.4 mmmt -73.06 -43.79 61.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.24 0.543 . . . . 0.0 110.321 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.63 -31.65 65.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.209 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.29 -45.02 88.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.467 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.523 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -72.21 -3.64 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.614 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 69' ' ' LEU . 25.7 mt -112.39 3.18 16.79 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.535 0.683 . . . . 0.0 109.307 174.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' HA ' HD22 ' A' ' 70' ' ' ASN . 2.3 t-20 -87.1 -48.31 8.18 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.527 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 96.7 mmm -72.84 -31.94 65.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.223 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.95 -35.2 68.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.0 111.163 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.1 t80 -77.87 -43.62 29.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 110.56 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -63.18 -30.69 71.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.707 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 p -78.93 -41.22 29.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.314 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.644 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 p -68.61 -23.93 64.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.247 0.546 . . . . 0.0 111.428 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 28.9 mmt -77.37 -21.58 53.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.153 176.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.7 -40.07 34.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.644 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 11.2 pt-20 -65.24 -38.9 91.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.681 0.277 . . . . 0.0 110.49 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' SER . 19.5 mt -66.2 -42.09 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-O 121.41 0.624 . . . . 0.0 109.911 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 93' ' ' LYS . . . -63.24 -39.28 94.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.283 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.16 9.09 15.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.517 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -105.37 -69.76 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.682 -177.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.646 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 15.6 mp0 -84.58 151.28 24.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.934 0.873 . . . . 0.0 111.912 -174.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 10.1 pt-20 -93.25 -151.33 0.3 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.796 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.65 -138.02 7.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.129 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.95 -13.02 59.67 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.36 123.02 5.89 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.1 m -69.36 176.91 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.35 0.26 . . . . 0.0 111.113 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 58.4 tp -55.41 -40.33 71.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.937 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -63.81 -39.57 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.209 0.528 . . . . 0.0 110.67 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -70.86 -31.13 67.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.234 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 37' ' ' GLN . 41.2 mmtm -59.66 -43.81 93.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.345 0.593 . . . . 0.0 109.971 172.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.47 65.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.063 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.3 m -62.69 -38.36 90.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.912 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 p -68.22 -45.38 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.043 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.4 mt -62.23 -48.82 86.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.593 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.41 -43.71 71.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.92 0.391 . . . . 0.0 111.125 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.65 -51.14 69.7 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.15 -30.03 64.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.562 -174.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.2 -46.99 84.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.049 0.452 . . . . 0.0 109.968 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -59.56 -36.63 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.133 177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -63.92 -42.9 97.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.082 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.65 -36.29 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.371 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -63.57 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.289 0.566 . . . . 0.0 110.622 174.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 90.8 mt -76.07 -8.38 56.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.016 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -98.1 -27.56 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.753 0.311 . . . . 0.0 110.708 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -90.69 -65.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.766 0.317 . . . . 0.0 111.705 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.0 p -94.74 -49.2 5.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.036 0.446 . . . . 0.0 111.092 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.12 -1.98 9.07 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -137.92 149.27 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.26 142.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.915 0.388 . . . . 0.0 110.959 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -101.82 112.97 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.66 -48.99 91.72 Favored Pre-proline 0 CA--C 1.535 0.391 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -47.34 -46.5 19.76 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.098 1.865 . . . . 0.0 112.509 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 41.6 t80 -58.0 -53.04 62.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.767 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.51 -38.97 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.96 -40.93 95.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.437 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -65.86 -29.73 70.23 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.402 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 35.8 mm -65.57 -34.1 68.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.9 p -64.44 -33.44 75.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -69.57 -31.62 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.496 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.94 -48.9 76.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.596 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 31.8 t -62.17 -35.87 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.378 0.609 . . . . 0.0 110.272 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -73.02 -41.29 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.582 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -71.92 -38.21 69.91 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.642 -174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -69.22 -12.91 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.713 0.292 . . . . 0.0 111.161 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.28 -36.03 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.162 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.0 mp0 -76.66 -32.72 58.14 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.414 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.67 -59.14 4.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.457 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.57 27.61 61.39 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 113.161 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -82.12 9.52 8.42 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.483 0.659 . . . . 0.0 111.408 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.437 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -99.57 -42.32 6.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.834 177.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.95 -49.77 9.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.027 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 30.7 m 40.36 31.07 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.529 1.132 . . . . 0.0 113.982 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.3 m 56.25 28.23 12.95 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.212 0.529 . . . . 0.0 111.752 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.543 179.722 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -170.19 170.53 7.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.55 42.83 3.14 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.359 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -92.83 85.24 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.102 0.477 . . . . 0.0 110.225 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -63.92 138.21 58.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -80.69 170.95 15.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.539 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -59.23 137.54 57.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.71 0.767 . . . . 0.0 111.833 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.623 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.1 p -154.68 162.32 27.36 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.886 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.9 -12.92 36.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.306 2.004 . . . . 0.0 112.792 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 10.4 p90 -126.7 17.29 7.46 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.623 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 11.5 t -79.53 -26.44 41.47 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.753 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.561 ' HB2' HD23 ' B' ' 15' ' ' LEU . 88.4 m-20 -134.46 151.3 75.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.416 -176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 12' ' ' ASN . 13.2 Cg_exo -70.85 7.96 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.813 2.342 . . . . 0.0 111.79 173.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.85 -2.04 32.14 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' B' ' 12' ' ' ASN . 3.8 mm? -118.78 -31.29 4.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -43.05 88.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.133 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -28.41 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.994 0.425 . . . . 0.0 110.752 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -57.16 -38.82 74.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.429 173.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.09 -47.64 84.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.859 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 14.1 mmt -58.68 -51.48 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.432 0.634 . . . . 0.0 110.675 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 47.6 m-80 -62.98 -46.83 85.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.234 -0.893 . . . . 0.0 111.154 -177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 31.8 m -60.95 -31.18 70.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.861 0.363 . . . . 0.0 111.001 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -70.07 -52.05 27.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.814 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.7 -35.8 80.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.639 -176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 98.0 mt-30 -64.19 -28.59 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.254 0.549 . . . . 0.0 111.157 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.89 -23.22 30.88 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.323 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' B' ' 33' ' ' PHE . 49.6 tp -82.31 -29.88 30.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.762 0.315 . . . . 0.0 111.205 -175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.2 p -74.12 5.23 4.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.914 0.387 . . . . 0.0 111.838 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.4 m -120.86 12.61 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.094 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.5 mmt -95.4 132.75 27.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.11 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.59 -19.5 32.1 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.229 2.619 . . . . 0.0 113.459 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.61 -20.31 73.8 Favored Glycine 0 C--N 1.32 -0.328 0 CA-C-N 115.533 -0.758 . . . . 0.0 114.347 -173.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.4 ' CE1' HD11 ' B' ' 27' ' ' LEU . 26.0 m-85 -106.0 174.13 6.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p -116.58 168.99 9.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.523 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.07 85.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.9 m -63.99 -41.56 97.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.18 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.31 -47.75 63.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.277 -176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.09 -36.31 74.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.023 0.439 . . . . 0.0 110.677 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -64.48 -44.34 91.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.587 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.35 -51.05 16.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.332 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 10.6 ptm -71.07 -21.18 62.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.7 -171.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -64.85 -19.35 65.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.998 0.427 . . . . 0.0 110.292 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 43.3 m -72.82 -40.88 65.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.385 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mt -72.14 -32.93 45.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.266 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.427 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -51.94 -51.93 53.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.069 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.477 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.2 pt20 -78.54 -22.56 47.1 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.454 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.9 t -65.48 -40.95 93.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 0.0 109.957 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.429 ' O ' HG13 ' B' ' 52' ' ' ILE . 94.7 mmm -73.13 -27.11 61.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.401 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' B' ' 53' ' ' GLN . 10.6 m -81.77 -38.84 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.085 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -72.34 -30.42 64.72 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.591 0.234 . . . . 0.0 111.332 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.478 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 2.9 p -66.61 -43.02 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.429 HG13 ' O ' ' B' ' 48' ' ' MET . 81.8 mt -58.69 -44.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 176.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 49' ' ' VAL . 82.1 mt-30 -63.79 -40.03 95.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.097 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -67.24 -33.67 75.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 110.629 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 51' ' ' SER . 71.1 mt -72.49 -37.33 68.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 176.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.416 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.17 87.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.119 0.485 . . . . 0.0 111.083 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.95 -17.27 41.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.195 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.24 41.72 8.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.93 -177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' B' ' 55' ' ' LEU . 9.4 mmm180 -102.57 -1.01 31.19 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -77.43 127.35 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.292 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.456 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 15.5 m -150.4 161.43 30.64 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.456 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 9.3 Cg_endo -51.23 -42.56 53.41 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.685 2.257 . . . . 0.0 112.624 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.49 -46.43 90.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.04 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 45.8 mmtt -59.21 -47.6 84.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.3 0.572 . . . . 0.0 109.977 -178.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.85 -42.96 84.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.885 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 33.5 tt0 -61.26 -50.05 74.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.89 -33.85 74.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.982 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.0 mt -76.26 -5.16 45.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.299 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 0.9 OUTLIER -85.79 -45.05 11.97 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 170.518 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 96.0 mmm -69.93 -40.33 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.541 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.57 -24.57 65.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 111.282 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.483 ' O ' ' HG2' ' B' ' 77' ' ' MET . 78.6 t80 -82.55 -41.14 19.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.266 0.555 . . . . 0.0 109.623 175.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.42 -37.37 85.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.444 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 13.0 p -70.56 -45.55 65.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.549 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 6.3 p -66.17 -33.75 76.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 111.379 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.495 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 29.7 mmt -70.2 -28.03 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.338 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.78 -44.86 47.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.061 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 12.1 pt-20 -64.18 -37.66 88.28 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.726 0.298 . . . . 0.0 110.964 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.526 HG13 ' O ' ' B' ' 76' ' ' SER . 19.1 mt -66.39 -43.48 91.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.216 0.531 . . . . 0.0 110.314 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.4 ' O ' ' HE2' ' B' ' 93' ' ' LYS . . . -63.98 -45.72 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.319 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.31 4.93 7.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.579 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -100.99 -64.46 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.391 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -90.96 133.64 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 112.127 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' B' ' 89' ' ' SER . 10.3 mm-40 -112.3 -166.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.025 175.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.21 -79.09 0.32 Allowed Glycine 0 N--CA 1.438 -1.171 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.0 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.38 -5.0 63.85 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.18 138.74 6.75 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.467 ' HA ' ' OE2' ' B' ' 85' ' ' GLU . 23.2 m -83.85 168.47 16.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.784 0.292 . . . . 0.0 111.083 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.28 -36.19 75.1 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.2 m -60.43 -35.56 76.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.31 0.576 . . . . 0.0 110.323 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -77.42 -36.91 52.8 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.868 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.4 ' HE2' ' O ' ' B' ' 81' ' ' ALA . 41.7 mmtm -53.74 -55.51 25.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.465 0.65 . . . . 0.0 109.946 174.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 18.1 m -55.29 -47.99 74.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.696 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 29.2 m -69.24 -42.15 76.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.753 -175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.3 p -65.31 -44.14 88.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.267 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.07 -47.05 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.672 0.272 . . . . 0.0 110.484 176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.33 -46.78 85.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.319 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 12.8 t -65.35 -41.86 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.622 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.87 87.04 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.291 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.42 ' SD ' HG13 ' B' ' 120' ' ' ILE . 39.5 mtt -67.22 -42.57 83.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.813 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.2 m -57.46 -38.82 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.324 0.583 . . . . 0.0 110.124 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.2 t30 -64.23 -43.8 93.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.929 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.51 -37.46 83.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.457 -178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 27.8 m-85 -63.35 -39.68 95.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 111.158 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.04 -21.88 60.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 68.0 mm-40 -83.14 -42.12 17.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.608 178.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.8 p -71.21 -76.56 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.086 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 8.7 t -98.77 -21.99 16.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.3 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.87 12.86 26.91 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.272 173.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -151.13 148.92 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.48 140.28 36.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.066 0.46 . . . . 0.0 111.009 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -100.76 113.82 27.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.557 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.518 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 21.8 mp0 -58.5 -51.3 82.82 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' B' ' 114' ' ' GLN . 85.4 Cg_exo -48.57 -44.77 29.53 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 122.078 1.852 . . . . 0.0 112.688 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.557 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.2 t80 -57.91 -58.62 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.696 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.46 -35.5 54.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.953 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -65.98 -41.61 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.069 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 57.6 mm-40 -67.74 -31.53 71.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.557 HG12 ' O ' ' B' ' 116' ' ' PHE . 35.3 mm -62.65 -40.74 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.97 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 59.9 p -61.09 -33.29 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.001 0.429 . . . . 0.0 110.727 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -72.0 -38.17 69.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.442 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.38 -51.34 70.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.657 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.79 -35.09 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.126 0.489 . . . . 0.0 110.443 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 53.7 m -73.48 -48.08 36.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -64.37 -41.22 96.83 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -172.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -65.92 -20.95 66.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 111.648 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.5 84.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' B' ' 129' ' ' GLN . 2.0 mp0 -84.66 -21.21 30.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.019 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.8 -54.41 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.517 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.34 12.63 58.81 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.836 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.55 7.93 21.19 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.572 0.701 . . . . 0.0 111.19 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -42.75 8.65 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.12 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.88 -48.11 14.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.34 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 32.8 m 47.55 13.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.312 1.445 . . . . 0.0 114.64 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 20.7 m 26.24 72.57 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.697 1.248 . . . . 0.0 113.417 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.355 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -99.95 109.96 22.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.17 63.61 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.703 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -132.68 15.95 4.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.819 0.342 . . . . 0.0 111.371 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m -120.97 119.93 33.97 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.01 0.434 . . . . 0.0 111.082 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -89.72 173.12 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 t -92.37 147.73 22.68 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.509 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 19.9 p -121.73 159.07 52.5 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.971 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HG2' ' CE3' ' A' ' 10' ' ' TRP . 37.5 Cg_endo -68.1 5.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.544 2.163 . . . . 0.0 113.176 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 9.5 p90 -137.46 18.68 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 14.5 t -83.53 -10.33 58.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -146.82 150.63 39.96 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.957 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.11 -32.05 67.92 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.015 2.476 . . . . 0.0 112.814 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.37 -56.04 24.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.191 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.3 mt -65.2 -35.5 81.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.627 0.214 . . . . 0.0 111.16 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.7 95.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.222 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.38 -42.52 98.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.506 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -65.14 -41.99 94.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.768 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -49.88 -45.22 50.42 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.452 0.47 . . . . 0.0 111.267 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.44 -51.34 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -67.64 -39.77 84.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.243 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 34.3 m -66.25 -24.46 66.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.236 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 73.7 t80 -81.64 -51.44 8.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 177.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.24 -31.3 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.514 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 22.3 pt20 -66.14 -28.71 69.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.411 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.13 -35.47 6.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.441 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 43.2 tp -70.95 -26.58 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.059 0.456 . . . . 0.0 110.687 -175.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.5 p -75.21 -0.17 18.49 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.03 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -113.01 5.13 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.278 0.561 . . . . 0.0 109.648 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.7 mmt -98.98 148.82 35.09 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.29 160.72 46.36 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.361 2.041 . . . . 0.0 111.184 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 102.28 -38.14 3.34 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.38 177.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 93' ' ' LYS . 77.1 m-85 -103.59 123.03 46.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 111.069 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -91.22 170.28 10.13 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.664 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.29 -30.96 67.04 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.774 0.321 . . . . 0.0 111.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -68.37 -46.1 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' MET . 85.7 mm-40 -72.13 -37.5 69.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.37 -31.96 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.1 -45.7 92.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.25 -46.77 75.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.382 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 6.9 ptp -73.58 -30.61 63.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.179 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -65.22 -27.04 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.251 0.548 . . . . 0.0 109.752 174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.9 m -67.03 -40.49 87.22 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.994 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' HG2' ' A' ' 48' ' ' MET . 38.0 mt -72.89 -35.34 48.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.511 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.45 32.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.912 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.2 pt20 -75.02 -21.94 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.438 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 29.1 t -66.34 -43.12 86.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 92.9 mmm -66.22 -41.84 89.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.83 -178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.662 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 14.4 m -67.39 -31.52 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.541 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -75.01 -29.73 60.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.646 0.26 . . . . 0.0 110.708 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 36.7 m -59.59 -44.25 93.42 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 48' ' ' MET . 72.7 mt -62.57 -47.13 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.552 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 73.2 mm-40 -56.62 -46.32 81.0 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.936 0.398 . . . . 0.0 110.636 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -64.1 -34.93 79.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.979 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 51' ' ' SER . 62.0 mt -78.49 -36.79 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.029 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.9 -36.0 72.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.155 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.98 95.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.504 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -72.26 -46.89 54.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.471 176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.9 53.68 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.807 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -136.6 24.97 3.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.951 176.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 p -86.29 118.28 25.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.302 0.572 . . . . 0.0 111.143 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 p -135.55 160.12 68.96 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.3 Cg_endo -50.66 -41.06 55.07 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.557 2.171 . . . . 0.0 112.027 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -68.32 -43.29 77.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.465 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.26 -47.65 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.752 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.9 mt -68.77 -39.43 80.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.967 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.678 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.3 tt0 -56.31 -41.56 76.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.979 0.419 . . . . 0.0 110.733 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -21.49 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.095 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 mt -85.77 -39.22 17.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.45 -46.64 69.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.097 174.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.4 mmm -69.74 -34.64 74.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -63.79 -34.6 78.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.327 0.584 . . . . 0.0 110.501 176.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.2 t80 -71.98 -46.17 58.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.043 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.79 -35.95 77.77 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.45 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.7 p -76.14 -38.02 57.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.56 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 80' ' ' ILE . 4.9 p -68.84 -37.64 79.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.789 0.328 . . . . 0.0 110.791 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -61.62 -29.44 70.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.056 0.455 . . . . 0.0 110.119 176.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.46 -49.26 27.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.086 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.68 ' OE2' ' HA ' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -69.31 -32.52 71.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.528 HD11 HD12 ' A' ' 44' ' ' ILE . 17.7 mt -59.69 -48.47 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.82 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.2 57.94 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.644 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.7 t -96.48 -77.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -123.99 171.15 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -154.0 174.74 14.26 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.192 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.07 0.76 9.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.886 177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.63 60.41 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.696 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -166.6 118.42 0.79 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.568 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 11.8 m -54.49 148.02 12.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.978 0.418 . . . . 0.0 111.806 -172.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' HZ3' ' A' ' 93' ' ' LYS . 50.3 tp -58.38 -52.47 65.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.647 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 p -60.25 -34.7 74.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.949 0.404 . . . . 0.0 110.925 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 32.6 m -64.25 -57.88 8.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 23.9 pttm -72.71 -15.97 61.68 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 97.3 m -66.45 -42.4 87.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.261 0.553 . . . . 0.0 110.083 173.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 t -73.01 -28.01 62.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.972 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.716 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.17 -47.23 94.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.162 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.76 -38.27 75.12 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.119 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.5 m -63.53 -41.33 98.47 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.826 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 103' ' ' ASN . . . -91.4 -19.96 22.32 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.5 mmt -64.0 -47.74 79.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.139 0.495 . . . . 0.0 109.997 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -64.84 -36.44 84.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.004 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.542 ' HB3' ' HA ' ' A' ' 100' ' ' ALA . 1.7 t-20 -54.53 -57.97 9.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.708 175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.43 57.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.493 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -65.33 -33.21 75.44 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 111.549 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -74.29 -13.77 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.631 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -88.54 -38.07 15.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.357 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -84.89 -69.79 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.1 p -93.04 -42.77 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.868 0.366 . . . . 0.0 111.43 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.47 4.48 28.6 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.476 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.99 147.31 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.96 0.409 . . . . 0.0 110.25 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.79 123.79 72.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -79.2 114.37 18.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 64.3 tt0 -65.69 -47.67 65.87 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -174.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.6 Cg_exo -49.9 -42.02 45.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.003 1.802 . . . . 0.0 112.354 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.611 ' O ' HG12 ' A' ' 120' ' ' ILE . 34.9 t80 -53.13 -51.31 62.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.6 mm -62.16 -37.99 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.86 -44.56 85.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -58.37 -41.3 84.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.854 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 116' ' ' PHE . 28.7 mm -60.59 -42.14 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -70.65 -25.31 62.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.899 0.38 . . . . 0.0 111.055 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -73.43 -33.2 64.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.72 -48.82 79.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.838 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.2 t -61.01 -39.59 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.325 0.583 . . . . 0.0 110.005 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.5 t -79.57 1.32 26.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.877 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.403 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 27.3 ptm -113.59 -37.96 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.174 176.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.9 -23.57 67.4 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.47 -34.56 77.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.483 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 1.5 mp0 -89.06 -13.22 39.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.65 18.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.23 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.61 13.24 83.16 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.677 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -89.01 12.7 14.77 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 122.102 0.953 . . . . 0.0 110.198 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.571 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER -100.28 -40.17 7.66 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.222 178.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -84.17 -47.36 10.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.997 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.3 m 40.04 34.58 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.473 1.109 . . . . 0.0 113.881 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.5 m 59.27 27.78 16.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.864 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.819 -179.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.473 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -88.87 83.1 6.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.441 0.639 . . . . 0.0 110.547 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.19 13.8 0.55 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -79.63 -19.46 49.12 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.089 -0.556 . . . . 0.0 111.298 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -83.77 84.95 7.38 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -87.1 149.18 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.231 0.538 . . . . 0.0 110.613 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -85.92 157.37 20.18 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 11' ' ' THR . 6.8 p -140.33 157.07 69.4 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -177.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.437 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 34.8 Cg_endo -66.19 -0.7 4.41 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.707 2.271 . . . . 0.0 112.978 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.437 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 7.1 p90 -130.87 23.84 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.126 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 8' ' ' THR . 15.0 t -85.84 -11.85 52.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.724 -177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.4 HD22 HG23 ' B' ' 11' ' ' THR . 10.1 p30 -144.29 150.09 47.08 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -53.81 -34.48 75.46 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.055 2.503 . . . . 0.0 113.017 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.3 -59.24 11.17 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.781 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.23 -37.76 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.263 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.6 97.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.666 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -71.41 -41.81 69.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.672 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.45 -29.24 69.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -58.15 -45.01 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.36 . . . . 0.0 110.547 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.7 mmt -64.01 -44.75 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.877 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -63.03 -45.27 93.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.51 ' HA ' ' NE2' ' B' ' 25' ' ' GLN . 50.3 m -65.54 -29.7 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.557 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.467 ' CZ ' HD22 ' B' ' 27' ' ' LEU . 70.3 t80 -73.79 -55.65 5.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.34 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.5 mmm -62.32 -34.95 77.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.53 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' B' ' 22' ' ' SER . 20.2 pt20 -65.44 -24.99 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.9 0.381 . . . . 0.0 110.504 -178.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.6 -35.27 5.97 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.467 HD22 ' CZ ' ' B' ' 23' ' ' PHE . 53.8 tp -69.5 -30.81 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -73.17 0.89 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 111.085 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -117.81 11.86 13.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.623 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 24.7 mmt -97.94 149.95 36.25 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.38 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.69 160.71 40.69 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.972 1.781 . . . . 0.0 111.163 173.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . 0.612 ' HA2' ' N ' ' B' ' 88' ' ' GLY . . . 100.71 -49.82 1.07 Allowed Glycine 0 N--CA 1.442 -0.913 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.692 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.2 138.1 31.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.819 0.343 . . . . 0.0 110.28 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.8 p -98.33 165.08 12.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.1 -39.39 72.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.747 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.1 m -72.4 -26.84 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 111.447 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 41' ' ' MET . 97.7 mt-30 -85.19 -35.41 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.977 0.418 . . . . 0.0 110.249 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.42 -31.93 73.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.351 0.596 . . . . 0.0 109.585 171.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.44 -32.45 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.246 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -77.03 -40.62 45.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.838 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 5.8 ptp -80.36 -28.84 37.94 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 12.9 p -63.03 -18.9 63.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.045 0.45 . . . . 0.0 110.71 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.5 m -66.45 -40.99 89.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.314 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.544 ' HA ' ' OG ' ' B' ' 47' ' ' SER . 53.9 mt -75.25 -30.75 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.59 65.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.118 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.429 ' O ' HG22 ' B' ' 49' ' ' VAL . 0.9 OUTLIER -92.36 -27.02 17.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.724 -177.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' B' ' 44' ' ' ILE . 64.8 p -66.86 -36.94 83.46 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.175 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.527 ' O ' HG13 ' B' ' 52' ' ' ILE . 91.7 mmm -63.02 -46.24 88.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 5.7 m -70.51 -32.8 51.09 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.386 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.74 -38.93 92.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.438 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 69.0 m -68.37 -37.7 80.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.397 175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 48' ' ' MET . 59.5 mt -56.62 -48.62 80.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.868 0.366 . . . . 0.0 110.37 175.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 60.7 mm-40 -62.36 -40.58 96.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.298 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.9 m -65.62 -37.17 85.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.212 -178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 51' ' ' SER . 87.2 mt -68.04 -36.82 80.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.696 0.284 . . . . 0.0 110.64 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.63 -40.09 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.676 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.13 96.04 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.378 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.99 -56.49 6.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.48 176.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.84 46.35 0.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.347 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 23.11 3.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.966 0.412 . . . . 0.0 110.997 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.09 149.49 25.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.411 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 33.9 p -167.51 162.11 10.14 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 10' ' ' TRP . 8.8 Cg_endo -51.55 -35.17 55.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.368 2.045 . . . . 0.0 112.029 176.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -68.32 -51.5 43.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.204 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -41.23 84.8 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.074 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 78.2 mt -74.4 -34.8 63.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.087 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.571 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.1 tt0 -63.86 -42.6 97.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.407 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.68 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . . . -59.96 -33.08 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.531 0.681 . . . . 0.0 110.758 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.28 -8.24 58.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.113 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 67' ' ' GLN . 13.6 m120 -78.42 -48.52 15.28 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.435 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -69.36 -40.81 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.889 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -60.27 -27.69 67.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.075 0.465 . . . . 0.0 111.374 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.488 ' O ' ' HG2' ' B' ' 77' ' ' MET . 68.7 t80 -79.57 -43.93 22.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.206 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.501 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.48 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 23.7 p -73.45 -44.04 59.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.46 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -64.06 -36.48 84.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 110.776 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.596 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 28.0 mmt -65.11 -38.69 91.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.33 176.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.35 -43.99 92.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.521 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -55.13 -53.56 54.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.712 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 76' ' ' SER . 27.1 mt -60.23 -45.55 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.34 90.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.851 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.69 66.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.257 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 34.4 t -84.37 -49.97 8.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.796 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.73 136.1 33.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -170.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.418 ' HB3' ' HD3' ' B' ' 93' ' ' LYS . 10.0 pt-20 -156.37 155.24 31.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.432 173.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.69 30.86 1.13 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.058 -1.068 . . . . 0.0 112.723 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.53 -34.04 0.29 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.612 ' N ' ' HA2' ' B' ' 32' ' ' GLY . . . -112.48 123.85 6.46 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.836 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.6 m -72.46 -176.72 1.97 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.613 0.245 . . . . 0.0 110.837 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.446 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.1 tp -55.14 -36.3 65.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.345 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 16.5 m -66.27 -23.35 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 31.8 m -98.99 -52.14 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.633 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 56.7 pttt -64.78 -25.52 67.96 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -173.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 40.5 m -66.47 -39.4 88.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.127 0.489 . . . . 0.0 110.523 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.0 t -71.25 -33.35 69.75 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.384 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -58.03 -42.32 85.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.07 -45.59 71.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.828 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.32 -43.22 88.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.04 0.448 . . . . 0.0 111.39 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.7 t -72.92 -25.51 61.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -82.63 -36.79 25.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.889 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.39 -42.15 98.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.243 0.544 . . . . 0.0 110.368 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.0 p -69.66 -40.43 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.637 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' B' ' 100' ' ' ALA . 0.7 OUTLIER -72.74 -23.25 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.999 -178.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.558 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 48.6 m-85 -67.36 -27.79 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.805 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.46 -15.58 61.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 27.9 mm-40 -88.97 -46.31 8.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.36 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -75.51 -66.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.186 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 111' ' ' VAL . 1.7 t -96.55 -44.39 7.18 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.542 -176.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.11 -6.24 17.42 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.766 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.8 p -125.68 151.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.19 126.41 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.778 0.323 . . . . 0.0 111.081 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -81.84 94.93 7.16 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -62.59 -42.97 82.49 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.402 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 96.3 Cg_exo -46.3 -46.68 16.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.06 1.84 . . . . 0.0 112.271 174.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.649 ' O ' HG12 ' B' ' 120' ' ' ILE . 68.2 t80 -56.16 -52.08 65.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.414 176.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.5 mm -57.71 -41.76 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.089 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.65 -43.68 92.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.264 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 29.8 mm-40 -66.93 -28.47 68.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.012 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.649 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -61.82 -41.83 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.256 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -61.45 -30.41 70.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.698 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -74.53 -35.66 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.464 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.07 -51.94 67.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.8 t -59.35 -32.97 49.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.277 0.561 . . . . 0.0 110.937 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 8.8 t -86.82 -26.88 23.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.759 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -78.56 -37.31 43.02 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.624 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -67.08 -20.97 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.104 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.93 78.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.582 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -76.08 -25.79 55.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.373 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.88 3.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.18 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.56 29.0 73.97 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.451 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -84.17 12.33 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.678 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -88.79 -35.54 16.59 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.084 178.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -27.98 62.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.384 -176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 20.6 m 42.33 31.59 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.832 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 16.7 t 61.91 29.78 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.764 0 CA-C-O 118.614 -0.707 . . . . 0.0 110.784 -179.566 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.937 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -83.38 153.3 24.62 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.42 58.39 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.194 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -110.68 19.57 18.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.152 0.501 . . . . 0.0 110.624 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -79.13 82.14 5.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.473 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -112.31 -178.13 3.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.92 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 120.64 10.54 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.651 -173.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' THR . 12.1 p -134.4 163.28 52.32 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.406 175.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.31 -23.72 56.08 Favored 'Trans proline' 0 C--O 1.224 -0.207 0 C-N-CA 122.038 1.825 . . . . 0.0 112.309 177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB3' ' ND2' ' A' ' 70' ' ' ASN . 23.8 p90 -111.21 16.87 20.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.104 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' THR . 14.5 t -74.41 -17.16 60.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' A' ' 11' ' ' THR . 12.8 p30 -160.22 157.26 24.58 Favored Pre-proline 0 C--O 1.234 0.285 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -71.22 3.05 3.75 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.99 2.46 . . . . 0.0 113.147 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.34 6.81 59.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.981 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -131.2 -30.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.595 0.235 . . . . 0.0 110.781 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.24 -37.59 67.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.065 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -37.56 17.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.807 0.337 . . . . 0.0 111.146 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -61.68 -28.94 69.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.966 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.83 -32.94 72.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.599 175.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtt -85.56 -42.7 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 109.576 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 85.9 m-20 -57.2 -46.42 82.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.739 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 m -64.88 -38.44 90.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.784 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 66.1 t80 -63.83 -52.77 58.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 73.6 mmm -57.66 -42.78 84.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.457 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 79.3 mm-40 -62.94 -44.67 95.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.19 -42.66 90.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.557 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 51.2 tp -67.18 -31.95 72.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.71 0.29 . . . . 0.0 111.266 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.2 t -65.9 -10.52 39.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.977 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 t -110.39 15.98 21.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.16 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 24.8 mmt -104.05 151.12 38.91 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.537 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.11 165.4 31.25 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.362 2.041 . . . . 0.0 111.255 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 98.86 -39.32 2.78 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.783 177.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -90.84 165.0 13.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.947 0.404 . . . . 0.0 111.639 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.7 p -112.76 -169.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.448 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.11 -34.91 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.019 0.438 . . . . 0.0 110.794 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 m -80.35 -35.18 35.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.565 -176.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -78.6 1.34 22.99 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.932 0.396 . . . . 0.0 111.511 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.17 -18.71 19.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.01 170.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.05 -52.79 15.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.561 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -47.36 85.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.98 -176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.9 ptp -65.29 -36.74 85.01 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 71.2 m -66.73 -25.77 66.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.432 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.54 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 35.0 m -66.31 -47.74 72.59 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.105 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 HD12 HD11 ' A' ' 80' ' ' ILE . 55.9 mt -64.37 -38.45 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.355 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 49' ' ' VAL . . . -52.88 -52.81 56.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.112 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.541 ' HA ' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -70.44 -18.53 63.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.812 0.339 . . . . 0.0 111.222 -177.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' B' ' 51' ' ' SER . 48.9 m -75.38 -41.68 55.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.436 176.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 82.5 mmm -73.09 -38.1 66.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.684 -177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.3 m -69.68 -39.82 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.538 -178.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -73.9 -34.86 64.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.0 p -66.79 -45.67 77.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.609 0.242 . . . . 0.0 110.401 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.4 -44.46 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.84 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 78.8 mt-30 -61.36 -42.93 99.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -64.38 -40.17 95.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.958 0.408 . . . . 0.0 110.54 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 51' ' ' SER . 59.3 mt -66.87 -37.86 85.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.097 178.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.13 -10.79 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.39 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.43 3.23 15.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.88 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.73 95.08 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.518 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 13.6 mmm180 -101.93 -1.47 31.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 -177.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 p -85.79 148.25 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.212 0.53 . . . . 0.0 112.137 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -150.48 151.07 30.27 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.65 -58.59 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.034 2.49 . . . . 0.0 113.179 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -62.09 -36.03 80.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 0.0 111.602 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HD2' ' HB ' ' B' ' 43' ' ' THR . 17.6 ttpt -73.59 -29.77 62.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.917 -176.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.39 -32.72 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.238 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.563 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.0 tt0 -65.16 -42.14 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.39 -43.98 88.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.451 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.61 4.96 8.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.408 . . . . 0.0 111.682 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 10' ' ' TRP . 5.3 m-80 -98.39 -46.35 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 84.1 mmm -60.81 -46.69 89.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.687 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' B' ' 76' ' ' SER . . . -51.91 -39.62 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.387 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 77' ' ' MET . 80.3 t80 -68.95 -49.51 57.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.256 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -59.64 -37.74 79.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.636 -178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 50.4 m -63.21 -54.64 34.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.556 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 66.2 m -61.53 -30.27 70.53 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 24.7 mmt -66.58 -33.43 75.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.1 0.476 . . . . 0.0 109.836 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.7 -46.96 43.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.948 174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 75' ' ' SER . 67.7 mt-10 -53.93 -52.61 60.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 76' ' ' SER . 20.4 mt -58.72 -44.79 90.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.085 0.469 . . . . 0.0 111.332 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.75 -36.62 84.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.399 0.619 . . . . 0.0 111.076 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.5 -2.06 48.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.676 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -78.85 -73.95 0.3 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.017 0.437 . . . . 0.0 110.981 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -113.87 153.24 29.52 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.729 0.776 . . . . 0.0 111.628 -175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -112.51 167.12 10.71 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.364 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.15 -57.14 0.19 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.929 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.81 -26.99 13.36 Favored Glycine 0 CA--C 1.509 -0.321 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.886 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -169.18 150.31 15.26 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.0 p -55.34 157.84 3.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.503 -170.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -49.36 -52.84 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.353 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.0 m -60.53 -39.49 88.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.517 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -60.42 -51.88 67.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.348 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -75.95 -10.77 59.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.76 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.9 m -69.14 -44.55 72.08 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.7 t -63.74 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.071 178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 35.3 m -56.25 -46.69 79.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.3 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.08 -47.16 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.682 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.45 90.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 111.334 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -67.08 -35.32 79.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.1 -39.13 42.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.33 -52.35 65.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.666 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -58.44 -48.32 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.524 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -54.45 -39.18 67.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.656 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.13 -28.99 69.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.598 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 48.9 m-85 -70.71 -35.86 72.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.197 0.522 . . . . 0.0 110.445 178.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.54 -17.11 60.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.547 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.9 mm-40 -86.79 -30.81 21.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.5 p -92.97 -68.88 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.636 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.7 p -87.91 -38.15 15.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.989 0.423 . . . . 0.0 111.1 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 103.17 12.61 31.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.576 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.0 p -153.59 150.16 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.68 131.94 66.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.997 0.427 . . . . 0.0 111.164 -175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.93 125.14 41.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.805 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.51 -44.24 91.47 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -43.08 -48.11 8.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.515 2.143 . . . . 0.0 113.65 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.0 t80 -59.7 -45.67 91.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 110.73 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.8 mm -67.19 -36.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -74.63 -20.94 59.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 -178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -36.9 63.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 174.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 116' ' ' PHE . 43.1 mm -66.05 -36.02 76.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.341 -175.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.8 p -63.48 -37.27 86.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.688 0.28 . . . . 0.0 111.142 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -64.71 -36.87 85.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.493 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -59.27 -52.84 63.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.672 178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.6 t -56.68 -38.83 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.087 0.47 . . . . 0.0 110.8 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -68.92 -46.91 67.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.561 -177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.457 ' HA ' ' NE2' ' A' ' 129' ' ' GLN . 26.0 ptm -65.86 -43.73 87.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.493 -175.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -67.32 -24.98 65.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.619 0.247 . . . . 0.0 110.922 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.5 -33.38 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 0.0 110.901 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 126' ' ' MET . 2.8 mt-30 -78.73 -30.06 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.22 -61.85 1.65 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.942 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.13 39.77 92.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.397 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -79.32 8.15 6.59 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.767 0.794 . . . . 0.0 111.257 -176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.465 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER -96.01 -35.16 11.5 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.599 175.185 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 -44.35 11.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.767 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 25.7 m 40.12 38.76 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.424 1.09 . . . . 0.0 113.746 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 27.49 15.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.815 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.507 179.408 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -120.87 155.27 34.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.302 . . . . 0.0 110.264 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.92 158.36 24.65 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.034 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -132.02 101.4 5.4 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -72.89 99.09 2.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.347 0.594 . . . . 0.0 110.772 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -132.33 -168.83 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.269 176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -100.69 150.24 22.95 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.0 p -144.33 156.92 57.24 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.404 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 43.9 Cg_endo -70.58 5.73 1.89 Allowed 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.404 2.069 . . . . 0.0 112.859 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.448 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 15.1 p90 -138.87 21.35 2.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.969 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.448 HG23 HD22 ' B' ' 12' ' ' ASN . 10.1 t -68.88 -20.39 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 111.465 -178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.497 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 13.6 p30 -159.34 159.34 28.59 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 8.2 Cg_endo -50.46 -23.21 10.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.762 2.975 . . . . 0.0 114.554 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.75 -18.15 64.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.645 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -96.04 -32.4 12.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.81 0.338 . . . . 0.0 110.207 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.675 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -72.09 -36.05 69.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.441 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.75 -41.22 86.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.892 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -58.18 -46.11 86.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.6 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 48.2 mtt -66.99 -47.6 71.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.564 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -61.21 -42.77 99.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.353 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.1 m -62.41 -36.46 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.741 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' B' ' 27' ' ' LEU . 78.3 t80 -67.62 -52.49 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.674 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . 0.415 ' HB3' ' HE3' ' B' ' 24' ' ' MET . 76.8 mmm -57.51 -46.44 83.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.616 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -57.49 -43.0 83.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.965 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.45 -39.14 51.29 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.568 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -66.79 -29.97 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.678 0.275 . . . . 0.0 111.408 -176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -63.83 -12.9 40.02 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.547 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -111.84 11.59 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.946 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.44 ' HB3' ' HB3' ' B' ' 96' ' ' SER . 23.3 mmt -95.86 152.27 38.91 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.812 -177.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.15 155.02 29.3 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.384 2.056 . . . . 0.0 111.309 174.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . 0.45 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 105.22 -31.04 8.95 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.294 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' B' ' 27' ' ' LEU . 68.8 m-85 -101.21 143.81 30.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.056 0.455 . . . . 0.0 111.142 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.2 p -90.03 173.06 8.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.628 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.42 -45.02 89.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.551 ' HA ' ' OD2' ' B' ' 39' ' ' ASP . 64.1 m -88.44 -5.38 58.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -173.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -84.14 0.36 48.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.297 0.57 . . . . 0.0 110.793 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.35 -20.68 17.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.392 170.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.551 ' OD2' ' HA ' ' B' ' 36' ' ' SER . 8.8 m-20 -65.75 -51.49 58.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.799 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -49.6 75.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.375 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 9.5 ptp -69.36 -32.83 72.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -66.32 -31.98 73.11 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.346 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 65' ' ' LYS . 47.3 m -63.68 -41.37 98.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.191 0.52 . . . . 0.0 109.76 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.483 HD12 HD11 ' B' ' 80' ' ' ILE . 62.4 mt -67.51 -42.95 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.459 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -50.67 -51.89 45.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.449 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -15.94 62.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.725 -177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -82.37 -39.37 22.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.082 0.467 . . . . 0.0 110.153 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mmm -64.15 -46.69 82.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.421 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.432 HG13 ' O ' ' B' ' 45' ' ' ALA . 17.8 m -61.06 -41.26 88.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' B' ' 53' ' ' GLN . 47.4 mt-30 -69.1 -37.27 78.3 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.635 0.255 . . . . 0.0 111.613 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 89.7 p -65.04 -36.98 86.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.91 0.386 . . . . 0.0 110.304 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.43 HG22 ' HB3' ' B' ' 13' ' ' PRO . 73.3 mt -67.28 -42.8 88.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.356 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.48 ' OE1' ' HA ' ' B' ' 50' ' ' GLN . 80.2 mt-30 -61.39 -34.76 75.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.604 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -71.08 -36.62 72.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.304 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 51' ' ' SER . 83.0 mt -63.6 -34.7 78.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.663 176.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.43 85.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.709 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.9 -39.2 79.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.927 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.69 -22.9 56.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.222 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.91 45.49 5.4 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.272 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.495 ' O ' ' HE3' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -134.3 31.41 3.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 111.213 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.8 p -87.2 122.71 31.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.679 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 7.5 m -132.75 157.19 78.97 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -54.64 -57.9 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.643 2.228 . . . . 0.0 112.646 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.18 -29.47 69.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 4.3 tppt? -71.0 -41.19 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.648 -178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.0 mt -69.56 -38.74 77.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.243 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.465 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.5 tt0 -61.79 -34.03 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.679 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.61 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 mt -84.16 -14.03 51.27 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.445 0.64 . . . . 0.0 109.793 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -70.88 -48.29 54.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 173.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.515 ' HB3' ' OE2' ' A' ' 79' ' ' GLU . 79.5 mmm -65.82 -42.55 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.49 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' OG ' ' A' ' 76' ' ' SER . . . -50.92 -42.04 59.21 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.115 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.508 ' CE1' ' HG2' ' B' ' 77' ' ' MET . 23.1 t80 -63.15 -50.97 68.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.588 175.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.42 -33.12 73.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.589 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 11.9 t -74.84 -46.0 39.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 72' ' ' ALA . 14.6 t -69.64 -37.57 76.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 110.153 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.508 ' HG2' ' CE1' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.86 -7.6 49.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.443 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.42 -48.43 7.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.644 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.484 ' H ' ' HG3' ' B' ' 79' ' ' GLU . 0.1 OUTLIER -64.94 -35.62 81.75 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -177.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.483 HD11 HD12 ' B' ' 44' ' ' ILE . 40.7 mt -60.57 -46.38 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.585 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.1 -1.2 24.89 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.785 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 60.4 m -86.07 -73.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 0.0 111.673 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.83 148.48 29.49 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 122.245 1.021 . . . . 0.0 112.584 -172.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -114.68 166.19 12.0 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 113.683 -1.598 . . . . 0.0 109.262 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.79 14.03 0.11 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.804 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.87 -38.31 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.192 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.45 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -173.36 143.89 7.44 Favored Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -48.72 158.4 0.31 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -168.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.76 -56.16 6.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.193 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.2 p -62.22 -33.3 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.268 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 16.8 m -59.89 -50.43 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.873 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -77.15 -23.75 51.61 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.701 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 69.9 m -61.22 -45.12 95.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.032 0.444 . . . . 0.0 109.996 174.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 18.2 t -65.12 -38.63 91.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.039 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.44 ' HB3' ' HB3' ' B' ' 30' ' ' MET . 54.6 m -58.23 -46.93 85.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.206 177.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' B' ' 101' ' ' MET . 46.8 mt -61.25 -47.61 92.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 110.489 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.7 88.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 111.304 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 19.1 t -69.51 -34.73 74.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.808 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.35 -34.81 58.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.631 0.253 . . . . 0.0 110.942 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 24.2 mmt -62.32 -49.46 75.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.651 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.5 p -63.12 -35.66 81.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.447 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.651 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.1 t30 -61.84 -42.65 99.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.971 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.42 80.69 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.536 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.597 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 28.8 m-85 -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 0.0 110.796 175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.36 -18.21 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.061 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.9 mm-40 -85.15 -38.57 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.813 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -80.23 -74.1 0.32 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.416 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.8 t -92.08 -30.4 16.04 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.506 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.95 14.34 23.13 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.636 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.597 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 13.3 p -152.3 149.59 13.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' B' ' 105' ' ' PHE . 2.5 p -114.34 134.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.288 0.566 . . . . 0.0 112.147 -174.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -93.71 109.28 20.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.842 176.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.617 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 66.9 mt-30 -67.26 -38.84 17.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 2.6 Cg_endo -47.43 -44.0 25.88 Favored 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 122.009 1.806 . . . . 0.0 111.923 174.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.679 ' O ' HG12 ' B' ' 120' ' ' ILE . 60.1 t80 -60.02 -53.55 56.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.173 176.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 34.7 mm -58.12 -42.08 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.62 -176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.85 -43.22 84.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -35.6 76.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.21 177.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.679 HG12 ' O ' ' B' ' 116' ' ' PHE . 37.9 mm -63.69 -41.48 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -177.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -60.34 -32.29 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 111.106 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -70.84 -37.36 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -58.04 -52.92 63.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.852 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 t -55.47 -44.34 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 110.574 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -68.1 -44.75 75.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.395 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.464 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 26.8 ptm -66.99 -37.76 84.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.166 -176.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.752 0.31 . . . . 0.0 110.753 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.04 72.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.042 0.449 . . . . 0.0 110.562 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 3.0 mt-30 -78.84 -27.33 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.826 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.21 -53.84 53.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 67.15 15.05 64.77 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.385 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -78.57 10.41 3.23 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.302 0.573 . . . . 0.0 111.235 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.563 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 5.2 p30 -101.48 -48.08 4.46 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.787 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -83.63 -42.63 16.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.87 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m 40.09 34.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 124.686 1.242 . . . . 0.0 113.638 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.2 m 58.76 31.68 21.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.805 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.457 -0.783 . . . . 0.0 109.888 175.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 p -85.09 54.54 3.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.367 0.603 . . . . 0.0 110.132 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.32 13.08 3.78 Favored Glycine 0 CA--C 1.507 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.565 -175.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.11 -56.08 4.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.089 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -155.48 105.67 2.47 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -119.37 -51.14 2.31 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -150.61 141.49 22.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.491 170.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 11' ' ' THR . 31.7 p -143.54 161.27 47.78 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.486 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -68.23 10.27 0.33 Allowed 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.74 2.293 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.8 p90 -138.9 10.86 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.639 0.256 . . . . 0.0 111.266 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 8' ' ' THR . 15.0 t -74.16 -18.11 60.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.249 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -152.86 156.0 32.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.536 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.1 -31.61 83.67 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.644 2.229 . . . . 0.0 112.855 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.87 -50.05 67.22 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.094 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 18' ' ' ASN . 95.9 mt -73.72 -27.74 61.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.647 -0.325 . . . . 0.0 110.817 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -48.36 82.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.234 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -78.32 -29.55 47.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.38 . . . . 0.0 110.404 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 1.2 t-20 -54.8 -45.19 74.3 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.835 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.98 -43.1 77.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.692 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 49.0 mtt -70.1 -47.46 61.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.628 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.7 m-80 -58.72 -48.27 81.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 30.3 t -63.43 -35.38 80.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -178.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE2' HD22 ' A' ' 27' ' ' LEU . 85.6 t80 -62.96 -49.87 73.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.94 -34.07 76.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 97.8 mt-30 -55.59 -50.34 70.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.053 0.454 . . . . 0.0 110.574 176.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.85 -38.63 35.77 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.424 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 33' ' ' PHE . 26.5 tp -64.23 -31.74 73.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.712 0.292 . . . . 0.0 111.452 -177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 t -71.23 1.72 5.66 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 111.451 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -118.57 7.95 11.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.886 0.374 . . . . 0.0 110.468 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -91.9 134.47 28.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.56 -17.24 26.72 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.008 2.472 . . . . 0.0 112.49 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.76 -16.46 74.35 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.079 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' A' ' 27' ' ' LEU . 42.6 m-85 -115.57 174.36 6.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.629 -177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 p -129.5 163.2 26.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.218 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.06 68.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 m -65.3 -48.78 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.332 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -70.76 -47.24 60.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.879 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.7 mt -57.58 -42.13 82.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.358 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.42 -44.11 92.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.182 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.29 -41.26 41.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.441 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.4 ptm -72.46 -25.84 61.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.9 0.381 . . . . 0.0 110.309 -176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 t -64.17 -26.11 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.246 175.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -63.88 -41.88 97.64 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.136 0.493 . . . . 0.0 109.932 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -71.95 -38.69 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.261 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.42 -54.55 30.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.315 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.43 ' HA ' HG22 ' A' ' 49' ' ' VAL . 1.8 pt20 -73.54 -23.75 60.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.547 -178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -68.14 -38.81 82.58 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 73.7 mmm -64.43 -50.58 67.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.89 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 46' ' ' GLN . 10.0 m -64.45 -35.01 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.519 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -71.87 -35.25 69.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.675 -0.238 . . . . 0.0 110.664 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.3 m -63.94 -42.52 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.765 0.317 . . . . 0.0 110.635 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 48' ' ' MET . 77.7 mt -56.15 -55.67 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.441 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.88 -30.68 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.658 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.2 m -67.81 -42.63 81.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.135 0.493 . . . . 0.0 110.265 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . 73.8 mt -69.65 -30.08 67.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 177.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.14 99.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.758 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.06 -32.13 72.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.14 0.495 . . . . 0.0 110.805 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 26.9 mt-30 -83.69 -7.53 59.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.288 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.77 31.67 64.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.606 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HG2' ' HB2' ' A' ' 58' ' ' GLN . 17.7 mmm180 -99.28 -6.68 27.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -79.01 135.3 36.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.34 -174.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -135.19 151.51 75.27 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.1 -54.92 4.67 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.817 2.345 . . . . 0.0 113.218 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.04 -27.68 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -68.86 -41.62 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.255 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.0 -40.47 94.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.486 0.66 . . . . 0.0 109.547 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' ASN . 30.7 tt0 -58.47 -44.25 89.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.039 176.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.59 81.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.717 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.18 -25.65 67.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.94 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -61.65 -40.48 95.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 94.4 mmm -73.74 -38.29 64.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.426 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.34 79.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.195 0.521 . . . . 0.0 110.535 176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' N ' ' HE2' ' A' ' 48' ' ' MET . 87.8 t80 -68.45 -43.44 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.32 177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.23 -39.14 85.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.771 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.7 p -80.57 -42.48 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.727 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 13.2 p -60.39 -34.56 74.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.23 0.538 . . . . 0.0 111.276 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 77' ' ' MET . 26.7 mmt -80.57 -13.39 59.11 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.885 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.62 -41.63 16.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.882 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.564 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 9.8 pt-20 -64.41 -42.99 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 76' ' ' SER . 15.7 mt -64.52 -31.32 53.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.543 0.687 . . . . 0.0 110.567 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.605 ' O ' ' HD3' ' A' ' 93' ' ' LYS . . . -79.31 -52.83 7.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.375 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.18 14.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.117 -0.947 . . . . 0.0 113.139 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.402 ' CB ' HD21 ' A' ' 133' ' ' ASN . 44.3 t -78.54 -67.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -174.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.22 152.43 44.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.265 0.555 . . . . 0.0 112.033 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.05 -170.81 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.333 -174.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.63 -61.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.942 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.87 -48.26 1.39 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.088 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.49 174.22 20.14 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.737 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 39.9 t -91.87 178.83 5.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 90' ' ' LEU . 5.4 tt -60.52 -43.9 96.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 t -65.11 -19.63 66.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.483 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -83.06 -35.91 25.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.605 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 72.2 mttt -59.83 -48.73 80.5 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.786 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.4 m -55.44 -51.91 65.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.364 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.0 m -66.28 -34.68 78.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.544 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.2 m -60.41 -48.17 82.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.918 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.8 mt -67.67 -45.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.14 73.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.981 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.1 t -64.75 -37.09 86.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.95 -177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.33 71.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.736 0.303 . . . . 0.0 111.053 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.577 ' SD ' HG13 ' A' ' 120' ' ' ILE . 42.7 mtt -69.34 -46.85 66.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.511 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 p -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.162 0.506 . . . . 0.0 109.879 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.616 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.3 t30 -62.25 -45.35 93.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.873 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.25 76.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.675 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.05 -41.98 97.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.319 0.581 . . . . 0.0 110.501 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.85 -20.14 65.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.287 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.1 mm-40 -91.96 -25.94 18.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.718 0.294 . . . . 0.0 111.403 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 p -90.59 -64.95 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.371 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -90.74 -46.82 8.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.161 0.505 . . . . 0.0 110.621 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.39 3.28 10.49 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 p -154.78 149.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.65 123.76 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.644 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 1.9 m-20 -60.8 -28.72 68.98 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.593 -172.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.644 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 5.7 tt0 105.0 -67.95 0.0 OUTLIER Pre-proline 0 N--CA 1.484 1.24 0 C-N-CA 124.804 1.242 . . . . 0.0 113.806 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -55.66 -31.23 78.75 Favored 'Trans proline' 0 C--N 1.365 1.422 0 C-N-CA 122.101 1.867 . . . . 0.0 113.466 -171.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.3 t80 -57.21 -44.67 83.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.811 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -69.74 -33.24 55.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.757 -175.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -62.95 -48.65 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.505 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.89 -31.76 72.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.947 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.7 mm -60.28 -35.66 63.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 58.1 p -61.46 -35.46 77.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.149 0.499 . . . . 0.0 110.858 -178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -72.25 -32.59 66.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.578 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 126' ' ' MET . 90.3 mt -63.31 -50.74 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.53 -32.46 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.929 -178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.8 t -86.8 -4.53 59.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.895 -174.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 26.8 ptm -102.16 -40.76 6.66 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.159 -0.616 . . . . 0.0 111.248 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -68.12 -17.08 64.27 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.689 0.28 . . . . 0.0 111.362 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.61 -33.74 76.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.76 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.8 mp0 -83.38 -26.54 30.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.694 0.283 . . . . 0.0 111.266 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.08 -69.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.955 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 51.06 43.37 49.84 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.39 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.5 13.02 9.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.681 0.753 . . . . 0.0 110.574 -177.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.402 HD21 ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -91.7 -41.75 10.54 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.689 176.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -76.02 -46.64 28.36 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.886 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 135' ' ' VAL . 27.4 m 39.67 86.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 O-C-N 124.725 1.265 . . . . 0.0 111.531 -175.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.3 m -71.55 60.88 0.34 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.891 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.076 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.8 m -82.33 97.16 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 110.296 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.08 68.0 2.35 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.734 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -60.84 1.31 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.847 0.356 . . . . 0.0 110.133 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -128.25 91.86 3.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.029 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -129.35 -178.83 4.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -63.4 144.0 57.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.392 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.554 ' O ' HG22 ' B' ' 11' ' ' THR . 4.7 p -145.41 155.26 53.75 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.605 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' CE3' ' B' ' 10' ' ' TRP . 42.2 Cg_endo -69.8 6.43 1.33 Allowed 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.351 2.034 . . . . 0.0 113.357 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' B' ' 9' ' ' PRO . 16.1 p90 -134.96 15.24 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 111.405 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.554 HG22 ' O ' ' B' ' 8' ' ' THR . 11.3 t -81.6 -8.96 59.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.461 HD22 HG23 ' B' ' 11' ' ' THR . 10.9 p30 -155.93 147.48 16.94 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.959 175.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.465 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 55.8 Cg_exo -53.29 -35.49 74.59 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.264 2.643 . . . . 0.0 113.008 -178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.7 87.15 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.995 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -83.6 -35.3 24.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.646 -0.326 . . . . 0.0 110.451 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.23 80.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.343 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 6.4 pt-20 -73.19 -36.08 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.864 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.33 -37.05 76.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.114 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -55.9 -45.3 78.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.221 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 38.0 mtt -76.5 -37.02 57.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.456 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 0.9 OUTLIER -58.11 -57.04 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.432 177.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.45 ' OG ' ' HG3' ' B' ' 107' ' ' GLN . 8.0 t -69.93 -23.74 63.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.969 -176.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.65 -50.16 74.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 93.4 mmm -66.23 -33.98 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 96.0 mt-30 -59.29 -48.58 81.08 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 110.031 175.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.83 72.41 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.367 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' B' ' 33' ' ' PHE . 19.9 tp -64.77 -34.42 78.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.638 0.256 . . . . 0.0 111.051 -178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.5 t -67.24 -9.22 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -112.05 17.3 19.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.393 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -103.97 140.85 21.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.326 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.91 -19.48 23.39 Favored 'Trans proline' 0 N--CA 1.472 0.25 0 C-N-CA 122.888 2.392 . . . . 0.0 112.869 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.42 -16.2 80.76 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.629 -0.714 . . . . 0.0 113.28 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' B' ' 27' ' ' LEU . 48.2 m-85 -118.95 151.12 38.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.561 -176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 47.5 p -119.44 169.89 9.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.43 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -31.27 70.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -65.16 -45.47 84.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.981 0.419 . . . . 0.0 110.647 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -66.71 -47.35 72.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.574 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.49 -38.04 85.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.925 -176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.88 -43.27 77.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.894 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -82.11 -41.03 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.126 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 13.4 ptm -77.09 -23.25 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.5 t -64.34 -29.53 70.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.549 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -66.15 -39.92 90.17 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.119 0.485 . . . . 0.0 110.172 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.39 -38.88 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.924 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.25 -51.1 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.003 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.514 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.3 pt20 -75.66 -23.12 56.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.234 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.8 t -66.09 -40.68 90.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.3 mmm -65.91 -45.34 82.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.549 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -66.67 -39.84 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.017 -178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -66.95 -33.33 75.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.519 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 69.4 m -63.03 -52.07 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.13 -52.05 55.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.917 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -175.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -73.36 -28.97 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.135 0.493 . . . . 0.0 110.299 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 60' ' ' ARG . 67.0 mt -76.43 -33.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.221 175.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.34 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.35 -15.49 63.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.501 ' HB2' ' HG2' ' B' ' 60' ' ' ARG . 49.5 mt-30 -105.13 -6.96 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.96 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.44 29.56 63.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.323 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.501 ' HG2' ' HB2' ' B' ' 58' ' ' GLN . 11.1 mmm180 -91.28 -8.79 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -79.98 143.78 33.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.28 -174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 17.6 m -146.25 151.58 44.58 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 175.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -48.34 -53.9 6.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.104 2.536 . . . . 0.0 112.853 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.85 -32.5 73.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 111.193 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' B' ' 60' ' ' ARG . 7.1 ttpt -71.82 -32.04 67.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.992 0.425 . . . . 0.0 110.535 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' B' ' 62' ' ' SER . 95.8 mt -67.35 -33.6 75.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.281 0.562 . . . . 0.0 109.733 174.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.16 -35.49 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.094 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.564 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -67.38 -18.92 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.2 9.26 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -101.74 -48.23 4.36 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLU . 94.4 mmm -66.56 -43.3 85.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 174.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -55.3 -31.82 61.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.158 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -72.97 -43.29 62.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.115 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.72 -37.77 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.593 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -71.67 -42.52 67.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.043 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.426 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 7.8 m -71.16 -4.67 26.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.105 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 24.9 mmt -107.31 -6.52 17.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.009 0.433 . . . . 0.0 110.124 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.26 13.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.743 -175.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -74.72 -35.4 62.67 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.798 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mt -58.48 -45.71 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.31 -43.94 63.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.435 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.56 19.48 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 30.7 t -78.92 -60.23 2.46 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -170.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 155.9 38.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.577 0.703 . . . . 0.0 112.278 -170.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.9 -176.58 3.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.183 -174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.58 -103.06 0.17 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -134.09 23.64 3.68 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.159 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.36 157.12 27.29 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.391 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.521 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 47.4 t -77.82 163.97 25.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.426 ' HA ' ' CE ' ' B' ' 93' ' ' LYS . 37.2 tp -59.77 -40.99 90.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.598 0.237 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -64.13 -39.65 94.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 m -64.17 -44.3 92.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.67 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 89' ' ' SER . 52.8 mtmt -61.67 -47.82 83.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.54 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 25.6 m -58.03 -46.15 85.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.146 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 10.2 t -68.54 -31.47 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.024 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 70.3 m -63.19 -46.13 88.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.686 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.22 -46.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.62 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -44.39 89.23 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.36 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -67.18 -42.23 84.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.795 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 -35.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.472 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.495 ' SD ' HG13 ' B' ' 120' ' ' ILE . 51.2 mtt -69.47 -40.59 77.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.65 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 49.1 m -60.18 -37.42 80.14 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.7 t30 -62.48 -43.6 98.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.877 176.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.27 -33.98 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.915 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.4 m-85 -66.34 -34.21 77.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 111.13 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.66 -17.53 59.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 78.6 mm-40 -86.37 -41.83 14.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.502 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.5 p -77.34 -73.54 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.845 -175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.41 HG23 ' H ' ' B' ' 111' ' ' VAL . 3.6 t -91.9 -40.08 11.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.864 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.67 11.08 9.66 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.8 p -155.39 151.74 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.31 127.24 56.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.626 ' O ' ' HD2' ' B' ' 115' ' ' PRO . 17.2 m120 -64.65 -41.08 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.791 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' B' ' 113' ' ' ASN . 10.5 tt0 102.88 -68.5 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 125.399 1.48 . . . . 0.0 112.838 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.626 ' HD2' ' O ' ' B' ' 113' ' ' ASN . 9.4 Cg_endo -50.98 -28.56 24.55 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 122.632 2.222 . . . . 0.0 113.427 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 53.1 t80 -57.39 -48.15 79.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.994 0.426 . . . . 0.0 110.192 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 18.1 mm -67.84 -31.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.093 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.38 -33.22 75.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.595 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.562 ' HA ' HE21 ' B' ' 122' ' ' GLN . 32.9 mm-40 -77.83 -23.44 48.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.995 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' B' ' 101' ' ' MET . 29.8 mm -71.66 -40.59 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 -175.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 13.3 p -61.36 -33.54 73.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 0.0 111.368 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' B' ' 119' ' ' GLU . 44.2 mt-30 -69.52 -37.18 77.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.4 -51.82 68.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 36.0 t -60.11 -39.49 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.679 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 26.3 t -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 -178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.406 ' HA ' HE22 ' B' ' 129' ' ' GLN . 26.5 ptm -77.01 -36.97 55.93 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.706 -176.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -69.94 -15.62 63.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.991 -0.283 . . . . 0.0 111.371 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.18 96.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.072 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.406 HE22 ' HA ' ' B' ' 126' ' ' MET . 1.4 mp0 -78.72 -24.41 44.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.549 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.305 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 52.74 36.37 49.1 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 113.17 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -84.58 9.85 12.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.717 0.77 . . . . 0.0 111.168 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -93.84 -43.63 8.5 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.161 174.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.27 -32.71 43.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.045 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.441 ' O ' HG23 ' B' ' 135' ' ' VAL . 34.0 m 41.01 81.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.236 0 O-C-N 124.73 1.269 . . . . 0.0 112.499 -176.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 7.6 m -76.4 57.64 1.21 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.003 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.022 -173.37 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -147.19 127.99 14.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.961 0.41 . . . . 0.0 110.831 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.45 4.64 40.46 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -95.48 -39.22 10.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.334 . . . . 0.0 110.604 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 p -117.08 122.17 43.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -153.14 167.67 28.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.076 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -130.54 152.5 49.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.954 0.406 . . . . 0.0 110.841 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 40.7 p -125.96 160.0 58.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.883 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -69.23 4.6 1.88 Allowed 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.686 2.258 . . . . 0.0 112.932 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -138.63 18.05 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.258 . . . . 0.0 111.611 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.446 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 13.9 t -84.11 -14.48 50.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.184 0.516 . . . . 0.0 110.2 178.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.42 147.35 33.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.88 -34.72 92.5 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.102 2.534 . . . . 0.0 112.889 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.11 -55.4 30.83 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.779 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.65 -30.37 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.41 -0.465 . . . . 0.0 110.741 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.8 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.0 -39.64 63.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.696 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -57.45 -37.5 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.228 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.78 -52.78 62.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.439 ' SD ' ' HB2' ' A' ' 48' ' ' MET . 22.5 ptp -78.34 -27.4 47.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.422 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -67.43 -41.13 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.802 0.334 . . . . 0.0 110.987 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 p -73.69 -34.69 64.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.759 0.314 . . . . 0.0 110.283 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -57.33 -52.65 64.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 79.7 mmm -59.92 -40.75 89.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.605 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -64.93 -38.01 89.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.077 0.465 . . . . 0.0 110.706 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.19 56.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.02 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.86 -29.55 68.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -68.22 -2.29 7.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 t -115.44 15.53 16.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 110.209 177.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -102.87 134.54 19.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.814 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.81 -25.79 60.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.084 2.523 . . . . 0.0 113.159 -176.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' A' ' 93' ' ' LYS . . . -74.5 -4.05 68.52 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.665 -174.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' HZ ' ' HB2' ' A' ' 81' ' ' ALA . 39.5 m-85 -124.74 155.44 39.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.578 0.689 . . . . 0.0 112.223 -178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.4 p -118.87 155.94 30.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.535 -177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.61 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.028 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -65.37 -37.7 87.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.469 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 14.1 mm100 -85.05 -32.09 23.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 34' ' ' THR . 86.9 mt -61.33 -36.59 80.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.509 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.66 -47.16 83.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.037 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' HG3' ' B' ' 65' ' ' LYS . 1.5 m-20 -71.41 -41.62 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.273 -176.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 ptm -75.98 -28.05 57.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.772 0.32 . . . . 0.0 110.771 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -69.36 -26.97 64.94 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 91.2 m -65.9 -39.95 91.08 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.057 176.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.55 ' O ' ' HG2' ' A' ' 48' ' ' MET . 53.4 mt -66.95 -39.45 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.368 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.93 -46.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -75.17 -14.98 60.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.481 -178.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 46.0 m -81.68 -35.34 29.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.183 0.516 . . . . 0.0 110.445 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 78.0 mmm -70.07 -48.98 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.793 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 46' ' ' GLN . 32.1 m -64.56 -32.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 47' ' ' SER . 2.9 pt20 -69.27 -34.48 74.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 109.98 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -70.98 -39.93 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.095 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 48' ' ' MET . 81.0 mt -61.68 -48.68 87.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.68 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -64.07 -37.21 86.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.028 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -60.28 -43.38 96.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 0.0 109.673 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.06 -38.27 90.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.79 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.58 -26.72 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.294 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 24.5 mt-30 -90.48 -9.41 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.3 32.71 72.32 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.265 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HD3' ' NE2' ' A' ' 58' ' ' GLN . 54.5 mtp180 -111.05 23.48 14.07 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -177.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.2 p -77.7 136.51 38.19 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.747 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 m -143.64 147.6 39.88 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.25 -48.83 18.71 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.716 2.277 . . . . 0.0 112.694 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -67.22 -45.3 77.22 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -56.67 -36.25 69.36 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.966 0.412 . . . . 0.0 111.177 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.12 -40.2 46.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.828 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.636 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.5 tt0 -65.7 -37.48 86.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.787 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.79 68.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.074 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.36 -29.79 22.68 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.98 -53.76 53.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.455 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 97.7 mmm -70.88 -30.39 66.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.227 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.24 93.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' O ' ' HG2' ' A' ' 77' ' ' MET . 90.3 t80 -62.13 -49.51 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.481 177.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.79 75.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.667 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -75.61 -38.52 58.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.8 m -61.59 -38.79 88.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.889 0.376 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -66.15 -34.37 77.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.311 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.99 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.215 175.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.54 -58.1 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.213 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.07 -34.92 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.199 0.523 . . . . 0.0 111.136 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HZ ' ' A' ' 33' ' ' PHE . . . -72.75 -38.14 67.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.442 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.83 -29.32 44.63 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.25 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.7 m -74.98 -55.86 5.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.669 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 32.9 mt-10 -120.07 134.97 55.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.274 0.559 . . . . 0.0 111.003 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -95.88 -54.51 3.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.49 -174.345 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.521 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . 80.79 -106.59 2.56 Favored Glycine 0 C--N 1.299 -1.505 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.915 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.42 40.47 2.17 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.95 129.35 2.23 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 93' ' ' LYS . 35.2 m -65.88 154.96 37.82 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 0.151 . . . . 0.0 110.73 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.14 -48.22 53.81 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.858 0.463 . . . . 0.0 111.098 -175.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.5 m -60.42 -39.92 89.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -66.67 -39.74 88.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.609 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 89' ' ' SER . 26.6 mtpp -65.02 -40.16 94.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 m -60.45 -46.14 91.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.0 t -65.18 -35.77 82.12 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.473 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.2 m -60.25 -46.86 88.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.816 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 54.6 mt -67.11 -44.4 88.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.892 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.53 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.554 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -67.97 -33.11 74.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.889 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.79 -32.95 58.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.86 -48.4 76.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.687 0.28 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.458 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 p -64.17 -33.05 74.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.048 0.451 . . . . 0.0 110.503 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.3 t30 -65.17 -40.26 94.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.44 77.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.352 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 69.2 m-85 -67.19 -34.75 78.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.682 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 102' ' ' SER . 85.8 mt -71.83 -19.21 62.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 75.1 mm-40 -87.61 -36.85 17.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.1 p -86.58 -76.45 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.619 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.4 p -79.97 -43.42 22.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 113.59 2.69 24.15 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.5 p -155.21 150.04 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.577 -0.311 . . . . 0.0 110.3 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 114' ' ' GLN . 19.1 t -88.1 131.92 34.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' A' ' 114' ' ' GLN . 18.8 m120 -69.05 -16.84 63.79 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 57.7 tt0 102.17 -79.61 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 125.058 1.343 . . . . 0.0 113.521 173.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD2' ' O ' ' A' ' 113' ' ' ASN . 42.3 Cg_endo -64.39 -12.64 34.1 Favored 'Trans proline' 0 C--N 1.364 1.353 0 C-N-CA 121.956 1.771 . . . . 0.0 113.572 -169.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.2 t80 -62.04 -48.97 77.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.817 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.7 mm -66.97 -30.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.201 0.524 . . . . 0.0 110.586 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.7 -33.96 76.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.375 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -86.29 -33.47 20.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.658 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.6 mm -60.53 -38.02 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.124 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.1 p -66.29 -28.27 68.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 111.033 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -81.07 -30.48 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.731 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.522 ' O ' ' HG2' ' A' ' 126' ' ' MET . 92.2 mt -62.26 -50.54 71.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.69 -29.74 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.409 0.623 . . . . 0.0 109.897 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 t -84.76 0.23 51.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.932 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 123' ' ' LEU . 27.3 ptm -110.65 -40.68 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.396 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -65.62 -25.49 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.766 0.317 . . . . 0.0 111.125 -177.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.99 89.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.694 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.46 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.2 mp0 -82.0 -23.41 36.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.352 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.37 43.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.955 0.407 . . . . 0.0 110.091 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 62.14 25.46 66.39 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.642 -0.708 . . . . 0.0 113.826 173.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -82.46 10.97 6.14 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.862 0.839 . . . . 0.0 110.702 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.564 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.4 OUTLIER -93.49 -37.71 11.79 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.051 176.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.35 -41.56 19.86 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.206 -177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 135' ' ' VAL . 27.4 m 39.3 86.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 O-C-N 124.919 1.387 . . . . 0.0 111.783 -177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 m -71.19 60.23 0.27 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.017 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.573 179.614 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -147.68 178.69 8.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.02 -17.69 58.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.756 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -58.69 -64.23 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.127 0.489 . . . . 0.0 109.772 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -87.37 97.66 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 170.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -116.18 153.77 31.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.08 0.467 . . . . 0.0 111.757 -173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -118.45 161.6 19.72 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.539 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -135.62 151.69 74.87 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.25 5.15 1.27 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.612 2.208 . . . . 0.0 112.946 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.41 19.56 3.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.651 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 12.5 t -76.14 -21.36 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.909 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.422 ' HB2' ' HD2' ' B' ' 13' ' ' PRO . 33.1 p30 -146.28 156.89 49.98 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.823 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' B' ' 12' ' ' ASN . 12.4 Cg_endo -56.85 -32.05 90.8 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.698 2.265 . . . . 0.0 112.85 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.06 -56.64 23.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.92 -178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.12 -29.39 66.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.61 -0.347 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.81 80.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.448 ' HA ' ' SD ' ' B' ' 20' ' ' MET . 7.7 pt-20 -73.74 -26.71 60.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.921 0.391 . . . . 0.0 111.204 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -65.87 -25.63 67.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -58.48 -59.29 5.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.058 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -77.19 -19.98 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.062 -176.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -41.24 80.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.762 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 p -79.07 -30.97 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.957 0.408 . . . . 0.0 110.478 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.469 ' CE2' HD22 ' B' ' 27' ' ' LEU . 83.7 t80 -57.8 -55.31 36.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.41 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 92.0 mmm -59.89 -36.93 77.98 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.691 -0.232 . . . . 0.0 111.515 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.47 -43.91 93.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.82 -36.9 46.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.269 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.469 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.8 tp -65.35 -32.49 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -66.15 -6.3 12.91 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.592 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -112.25 9.53 20.0 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.008 0.433 . . . . 0.0 110.137 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.5 mmt -96.17 142.65 24.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.043 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.33 -20.54 16.12 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.034 2.489 . . . . 0.0 112.804 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.66 -41.51 99.81 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.12 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -104.58 156.52 17.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.842 0.353 . . . . 0.0 111.191 -175.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.591 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 69.8 p -112.51 167.06 10.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.61 78.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.451 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 21.1 p -64.28 -39.86 94.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.228 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.591 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 11.7 mm100 -82.73 -36.77 25.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 110.512 -175.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.441 HD23 ' SD ' ' B' ' 41' ' ' MET . 84.9 mt -62.26 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 177.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -68.6 -27.61 66.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.067 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.78 -46.77 11.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.267 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.441 ' SD ' HD23 ' B' ' 38' ' ' LEU . 9.9 ptm -71.3 -20.07 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 -174.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.8 t -63.56 -27.14 69.05 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.606 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' B' ' 46' ' ' GLN . 26.4 m -65.28 -47.54 76.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.965 0.412 . . . . 0.0 110.394 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.08 -34.49 70.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.442 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.06 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.326 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' B' ' 43' ' ' THR . 0.7 OUTLIER -80.3 -20.33 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.501 -178.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 50' ' ' GLN . 66.0 m -72.47 -41.52 65.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.917 0.389 . . . . 0.0 110.283 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.497 ' O ' HG13 ' B' ' 52' ' ' ILE . 87.9 mmm -62.53 -44.22 96.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -69.06 -34.45 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 47' ' ' SER . 2.8 pt20 -76.81 -31.35 56.89 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.817 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.443 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 66.6 m -68.0 -38.77 83.03 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 48' ' ' MET . 86.2 mt -62.21 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 120.966 0.412 . . . . 0.0 110.097 175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -62.99 -37.06 85.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.3 t -62.68 -43.87 97.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.999 0.428 . . . . 0.0 109.894 176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 51' ' ' SER . 90.2 mt -61.87 -37.56 85.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.452 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.4 -42.4 98.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.82 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.263 0.554 . . . . 0.0 110.782 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -82.0 -9.02 59.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.543 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.9 30.66 67.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.137 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mtp85 -108.39 19.71 19.5 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.989 0.423 . . . . 0.0 110.693 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -83.22 124.15 30.26 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 -178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -146.32 149.76 38.92 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.98 -33.71 53.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.113 2.542 . . . . 0.0 112.472 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -62.28 -61.74 2.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 177.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.44 ' HG3' ' OD2' ' A' ' 40' ' ' ASP . 26.2 mtmm -65.17 -30.92 71.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.929 -176.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.53 -37.94 68.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.911 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.7 tt0 -70.46 -35.99 73.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.178 0.513 . . . . 0.0 109.947 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.48 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -63.91 -25.52 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.921 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.46 5.12 51.51 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.812 0.815 . . . . 0.0 109.594 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.68 -53.27 4.1 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.46 -37.41 87.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.581 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.99 -39.03 71.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.853 0.358 . . . . 0.0 111.402 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.514 ' O ' ' HG2' ' B' ' 77' ' ' MET . 86.2 t80 -68.38 -45.8 71.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.052 0.453 . . . . 0.0 109.98 178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.55 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.68 -37.97 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.421 -178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 25.3 p -79.47 -33.45 42.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.4 t -63.94 -39.59 94.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.998 0.427 . . . . 0.0 110.12 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 28.8 mmt -68.47 -29.02 67.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.75 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.78 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.682 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 83' ' ' SER . 2.4 tm-20 -57.93 -59.56 5.06 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.0 mt -56.01 -45.86 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -39.12 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.808 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.85 -4.62 49.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.233 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -76.14 -53.86 7.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -176.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.441 ' OE1' ' NZ ' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -119.23 -166.49 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.559 -178.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.02 -163.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.452 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.31 -140.55 2.9 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -28.59 13.62 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.339 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.06 -149.95 19.51 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.139 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 23.9 m -96.14 173.57 7.34 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.11 -47.64 85.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -63.29 -27.99 69.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.787 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.5 m -64.09 -46.45 84.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.019 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 52.0 mtpt -63.39 -37.96 89.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . 0.459 HG23 ' HB ' ' B' ' 124' ' ' VAL . 25.5 m -56.75 -49.09 76.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.992 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t -75.15 -27.95 59.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -59.24 -42.49 91.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 110.518 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' B' ' 101' ' ' MET . 67.1 mt -67.17 -47.62 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.173 177.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.77 85.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 8.6 t -65.46 -38.22 89.17 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 110.672 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.08 -32.78 65.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.705 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 22.2 mmt -63.02 -47.76 81.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 177.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' B' ' 106' ' ' LEU . 2.5 p -61.39 -30.52 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 4.0 t30 -68.94 -43.07 75.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.484 176.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.5 84.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.623 -178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.519 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.4 m-85 -66.6 -33.7 76.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.411 . . . . 0.0 111.118 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 102' ' ' SER . 97.6 mt -75.13 -21.25 58.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 80.6 mm-40 -82.48 -46.22 13.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.817 0.341 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.9 p -71.16 -75.05 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.864 -178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 3.7 t -92.69 -38.58 11.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.382 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.97 19.91 8.75 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.923 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.9 p -156.79 151.73 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.432 HG12 ' H ' ' B' ' 114' ' ' GLN . 35.1 t -105.06 137.41 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.357 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 18.9 m120 -69.1 -33.62 73.8 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 119.547 -0.263 . . . . 0.0 111.574 -178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 43.7 tt0 103.42 -69.72 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 125.178 1.391 . . . . 0.0 113.204 177.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 25.8 Cg_exo -62.02 -28.39 80.41 Favored 'Trans proline' 0 C--N 1.364 1.388 0 CA-C-N 121.398 1.535 . . . . 0.0 112.56 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.631 ' O ' HG12 ' B' ' 120' ' ' ILE . 40.4 t80 -54.2 -50.29 67.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.56 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.61 -40.78 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.91 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -65.93 -44.2 85.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.749 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.42 -35.76 80.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.579 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.631 HG12 ' O ' ' B' ' 116' ' ' PHE . 31.9 mm -62.02 -39.1 82.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 111.308 -176.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 44.5 p -63.94 -32.97 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 110.524 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.78 -34.38 66.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.347 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.17 -58.8 6.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.459 ' HB ' HG23 ' B' ' 94' ' ' THR . 17.4 t -58.34 -34.33 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.199 0.523 . . . . 0.0 110.41 -178.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 7.9 t -65.11 -50.28 66.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.98 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 28.3 ptm -69.27 -34.31 74.56 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.461 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.92 -24.05 66.73 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.637 0.256 . . . . 0.0 111.404 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.8 85.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.302 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.437 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.36 64.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 63.96 25.43 69.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.436 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -103.88 18.02 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.449 0.642 . . . . 0.0 110.526 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.636 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -85.45 -50.07 7.58 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.987 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.84 -38.03 13.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.868 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' B' ' 137' ' ' ALA . 28.8 m 42.31 96.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 124.91 1.284 . . . . 0.0 114.115 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 5.5 p -79.29 33.95 0.24 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.399 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.135 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 112.284 -0.326 . . . . 0.0 112.284 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -55.32 117.6 3.68 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.263 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.76 43.43 2.89 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.65 17.38 2.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.68 -0.76 . . . . 0.0 112.131 -171.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -79.96 80.92 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.521 ' CD2' ' HB1' ' B' ' 137' ' ' ALA . 98.3 m-70 -134.27 -163.65 1.4 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.089 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -120.57 143.16 48.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.196 0.522 . . . . 0.0 110.175 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.548 ' H ' ' HB ' ' A' ' 11' ' ' THR . 27.0 p -144.79 170.3 8.43 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.674 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.79 -1.96 6.84 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.492 2.128 . . . . 0.0 112.459 176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.2 p90 -133.71 23.17 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.747 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.548 ' HB ' ' H ' ' A' ' 8' ' ' THR . 11.6 t -68.36 -24.93 64.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.548 -177.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 5.8 p30 -150.76 157.01 36.21 Favored Pre-proline 0 C--O 1.237 0.42 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.623 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.5 Cg_endo -50.34 -37.78 51.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.279 2.653 . . . . 0.0 113.146 -177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.77 12.34 3.8 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.255 -0.429 . . . . 0.0 113.811 -174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.7 mt -128.75 -38.82 1.66 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 172.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.95 83.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.373 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 11.9 pt-20 -73.04 -36.87 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.956 0.408 . . . . 0.0 110.856 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -68.51 -26.32 65.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -62.5 -45.28 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.022 0.439 . . . . 0.0 109.919 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 mtt -64.25 -46.08 85.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.608 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 33.4 m-80 -58.07 -49.37 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.756 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -62.51 -36.83 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.148 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -57.82 -52.64 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.55 -32.07 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.457 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 22.3 mt-30 -71.38 -15.72 62.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.2 0.524 . . . . 0.0 110.761 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.68 -41.51 2.69 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.096 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.9 tp -65.06 -24.57 67.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.986 0.422 . . . . 0.0 110.77 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 p -58.52 -23.46 58.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.428 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -114.43 26.74 9.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 110.77 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -96.87 139.34 21.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.517 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.12 -18.65 35.2 Favored 'Trans proline' 0 N--CA 1.474 0.325 0 C-N-CA 123.103 2.535 . . . . 0.0 113.155 -175.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.98 -8.23 87.68 Favored Glycine 0 C--N 1.319 -0.406 0 CA-C-N 115.71 -0.677 . . . . 0.0 113.187 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -125.21 141.16 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 111.488 -175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.9 p -104.63 165.54 10.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.748 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.24 67.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -84.77 -35.33 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -68.05 -50.48 54.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.941 -1.481 . . . . 0.0 110.116 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.67 -38.65 78.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.122 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.98 -39.52 82.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.407 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -77.66 -41.51 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.354 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 ptm -78.9 -22.85 45.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -60.82 -15.85 34.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.14 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -63.03 -51.49 66.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 0.0 110.97 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.57 -23.82 28.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.936 -174.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -42.38 51.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.71 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 49' ' ' VAL . 11.8 mt-30 -89.16 -29.33 19.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.554 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 m -61.2 -40.95 95.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mmm -75.96 -42.25 49.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 46' ' ' GLN . 19.8 m -68.79 -36.55 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.391 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.51 -26.02 62.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 39.0 t -69.13 -46.78 66.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.674 173.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.63 -44.7 97.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.937 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.81 -35.24 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.186 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.3 m -66.96 -43.15 83.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.081 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.26 -35.24 80.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.733 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.28 94.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.745 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.37 65.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.688 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.03 -16.38 35.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.707 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.41 29.55 61.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.322 -0.466 . . . . 0.0 112.374 -177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -105.87 13.01 30.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 0.0 110.314 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.0 p -78.86 116.37 19.14 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' OD1' ' A' ' 64' ' ' ASN . 6.5 m -138.29 155.77 73.94 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.514 -176.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.82 -19.7 26.02 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 123.29 2.66 . . . . 0.0 113.535 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' A' ' 62' ' ' SER . 1.9 p30 -90.01 -46.66 8.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -46.39 80.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.03 -25.72 55.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.378 -176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.49 ' OE1' ' HB3' ' B' ' 133' ' ' ASN . 7.4 tt0 -66.55 -46.41 76.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.591 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.27 1.83 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.297 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 28.9 mt -112.89 0.64 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 171.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -86.81 -52.6 5.4 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.439 ' HB2' ' OE1' ' B' ' 79' ' ' GLU . 43.5 mtp -83.35 -22.09 32.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.337 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.41 -34.83 64.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 0.0 110.421 172.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG2' ' A' ' 77' ' ' MET . 85.6 t80 -70.82 -45.55 64.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.517 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.84 85.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.458 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.413 ' HA ' HD13 ' A' ' 123' ' ' LEU . 9.2 p -73.09 -40.22 65.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.026 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' GLU . 12.5 t -70.25 -32.02 69.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.712 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 30.8 mmt -67.23 -40.13 86.31 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.036 -0.415 . . . . 0.0 110.325 176.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.2 85.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.104 0.478 . . . . 0.0 109.802 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.519 ' OE2' ' HB2' ' B' ' 71' ' ' MET . 34.2 tt0 -52.82 -59.8 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.862 176.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 76' ' ' SER . 23.1 mt -58.7 -45.37 90.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.989 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.06 92.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.372 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.35 -17.56 56.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.231 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.0 m -65.73 -64.48 0.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -132.9 133.29 43.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 121.656 0.741 . . . . 0.0 110.609 -174.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -86.13 161.26 18.96 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.72 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.49 -28.75 0.12 Allowed Glycine 0 N--CA 1.437 -1.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.741 -178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.84 -59.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.417 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.13 22.35 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.401 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.403 ' HB2' ' OG1' ' A' ' 92' ' ' THR . 16.4 m -53.68 151.37 6.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -170.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -50.16 -50.92 47.49 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -61.84 -34.79 76.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.967 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 89' ' ' SER . 6.4 m -68.46 -35.28 77.35 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.527 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -60.31 -42.22 95.09 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.026 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -53.08 -51.21 62.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.974 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -70.19 -32.94 71.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.5 m -62.97 -50.19 71.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 101' ' ' MET . 56.5 mt -64.85 -41.78 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.414 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.6 -48.71 78.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.301 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -64.36 -42.06 96.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.385 . . . . 0.0 110.219 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.652 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -66.11 -30.18 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 97' ' ' ILE . 24.7 mmt -71.01 -46.97 61.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.979 0.419 . . . . 0.0 110.173 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 p -64.14 -33.49 75.9 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.901 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.652 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 1.2 p-10 -81.31 -25.02 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.343 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.13 72.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.815 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.61 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.1 m-85 -61.8 -34.59 76.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.095 176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.54 -19.93 61.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.815 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 68.1 mm-40 -84.41 -36.42 22.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.931 0.396 . . . . 0.0 110.53 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.1 p -86.22 -75.8 0.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.141 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.0 t -88.75 -37.51 15.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 -175.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.22 15.89 16.48 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.951 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.61 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 11.4 p -152.86 149.9 13.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -178.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.91 131.58 52.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -87.57 113.52 23.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.6 tp60 -65.54 -52.19 45.94 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -173.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.8 Cg_endo -56.09 -33.62 90.45 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.073 1.849 . . . . 0.0 112.015 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.571 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.1 t80 -60.21 -52.86 63.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.192 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.1 mm -61.67 -33.9 59.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.834 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.25 -46.86 81.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 115' ' ' PRO . 43.4 mm-40 -64.26 -31.87 73.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.4 mm -59.68 -36.05 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.226 -178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -66.39 -23.68 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.052 0.453 . . . . 0.0 111.199 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -81.07 -39.39 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.431 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' SER . 91.5 mt -56.92 -53.31 59.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.329 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.05 -28.53 43.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 111.034 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.3 t -96.98 3.5 51.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.768 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -108.11 -41.06 5.02 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.337 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -65.01 -21.6 66.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.708 0.289 . . . . 0.0 111.654 -176.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.58 99.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.834 0.349 . . . . 0.0 111.084 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.34 -22.36 41.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.666 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.46 -46.37 63.03 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.25 0.548 . . . . 0.0 110.624 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 73.83 7.23 74.82 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.845 170.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -80.97 -0.72 40.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 122.082 0.944 . . . . 0.0 110.464 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.62 -29.23 14.43 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.574 173.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -85.83 -33.46 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.441 -1.254 . . . . 0.0 110.164 -176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 29.2 m 43.76 45.68 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.758 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.9 m 65.23 39.94 5.17 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.458 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.458 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.94 73.85 6.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.626 0.726 . . . . 0.0 109.883 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.91 31.6 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -90.42 -27.69 19.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.847 -176.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -66.85 101.91 0.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.134 0.492 . . . . 0.0 111.517 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -114.87 162.05 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.929 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -75.78 148.26 38.61 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 7.5 p -140.85 157.79 66.7 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.72 -1.3 7.35 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.928 2.418 . . . . 0.0 112.054 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 9.3 p90 -130.85 21.73 4.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.327 -178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 13.1 t -66.81 -16.81 64.53 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.694 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -137.03 151.66 72.46 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.95 -35.25 70.44 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.223 2.615 . . . . 0.0 113.203 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.84 70.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.863 -177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.2 -30.69 66.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 0.0 110.703 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.17 82.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.213 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -75.28 -30.45 60.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -59.39 -39.52 83.63 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.785 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.0 -48.05 76.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.724 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 43.7 mtt -70.68 -44.08 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.016 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 30.4 m-80 -60.12 -47.13 87.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.818 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB3' ' HG3' ' B' ' 107' ' ' GLN . 37.6 m -64.55 -34.03 77.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CE2' HD22 ' B' ' 27' ' ' LEU . 75.8 t80 -61.37 -51.04 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.747 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.25 -34.02 76.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.8 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 25.2 mt-30 -67.39 -25.62 66.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.043 0.449 . . . . 0.0 111.202 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.21 -25.6 13.9 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.1 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.474 HD22 ' CE2' ' B' ' 23' ' ' PHE . 38.8 tp -78.43 -28.05 46.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.861 0.363 . . . . 0.0 111.29 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -60.58 -27.12 67.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.555 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -99.14 9.06 44.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.778 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.9 mmt -85.69 132.17 45.2 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.246 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.96 -17.41 32.15 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.868 2.379 . . . . 0.0 112.578 -177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . 0.577 ' O ' ' HG2' ' B' ' 93' ' ' LYS . . . -70.69 -12.79 70.95 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.366 -0.834 . . . . 0.0 113.762 -176.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.17 158.72 27.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.641 0.721 . . . . 0.0 111.516 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.583 ' OG1' ' HG2' ' B' ' 37' ' ' GLN . 22.7 p -111.23 160.36 17.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.021 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.35 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.722 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.1 m -66.76 -53.53 32.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.587 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.583 ' HG2' ' OG1' ' B' ' 34' ' ' THR . 6.9 pt20 -75.53 -18.18 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.592 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' B' ' 34' ' ' THR . 40.9 mt -63.73 -30.47 71.57 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.633 174.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.51 -44.49 82.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.985 0.421 . . . . 0.0 110.071 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' HA ' ' B' ' 37' ' ' GLN . 38.2 m-20 -57.83 -47.46 82.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.671 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.487 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 4.6 ptm -79.48 -25.82 41.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.335 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -66.4 -38.87 88.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.392 0.615 . . . . 0.0 109.522 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.6 m -63.89 -49.38 72.91 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.301 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.434 HD12 HD11 ' B' ' 80' ' ' ILE . 30.9 mt -65.26 -34.92 73.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 49' ' ' VAL . . . -49.74 -55.34 14.32 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.104 0.478 . . . . 0.0 110.553 175.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.512 ' HA ' HG22 ' B' ' 49' ' ' VAL . 14.4 mt-30 -69.71 -31.89 70.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.524 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.56 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 46.1 m -61.19 -41.63 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 0.0 110.442 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 91.6 mmm -71.0 -45.57 63.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.952 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.9 m -63.72 -37.09 78.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.9 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.43 -27.48 56.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.686 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.0 t -68.67 -37.54 79.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.33 -44.26 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.323 174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -62.29 -33.21 74.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.518 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 57.0 m -65.04 -39.64 93.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.39 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 56.1 mt -60.66 -42.12 96.4 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.604 0.24 . . . . 0.0 110.611 175.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.97 95.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.591 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.64 -28.59 64.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -84.81 -8.78 58.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.17 28.11 60.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.915 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -133.37 65.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.44 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.02 121.87 46.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.086 174.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.461 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 3.7 m -137.76 160.38 65.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.877 -175.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 18.6 Cg_endo -53.92 -44.16 51.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.248 2.632 . . . . 0.0 112.476 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -80.08 -27.33 39.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.01 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 1.5 tppt? -68.11 -46.16 71.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.337 0.589 . . . . 0.0 110.068 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 64.0 mt -72.85 -28.2 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.515 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.02 -45.29 89.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.532 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.17 79.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.275 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 69' ' ' LEU . 33.9 mt -86.59 7.91 24.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.217 0.532 . . . . 0.0 110.34 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -94.69 -54.64 3.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.247 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.519 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . 22.4 mtp -76.8 -25.93 53.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.492 178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.26 70.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.336 0.588 . . . . 0.0 110.515 173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.596 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.7 t80 -72.64 -43.82 62.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.573 174.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -62.88 -38.84 92.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.437 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 p -70.86 -42.24 70.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -56.88 -40.82 76.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.571 176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -66.19 -35.98 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.398 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.2 -41.22 81.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.209 175.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.439 ' OE1' ' HB2' ' A' ' 71' ' ' MET . 43.2 mt-10 -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.762 176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.434 HD11 HD12 ' B' ' 44' ' ' ILE . 41.6 mt -63.48 -46.37 95.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.079 0.466 . . . . 0.0 111.004 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.94 92.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.452 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.76 -13.57 59.74 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.984 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 79' ' ' GLU . 10.7 t -71.79 -63.28 1.16 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.947 0.403 . . . . 0.0 109.994 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -131.66 127.09 36.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.567 . . . . 0.0 110.47 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 88' ' ' GLY . 17.0 pt-20 -84.56 -36.86 21.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.814 0.816 . . . . 0.0 110.17 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.83 -113.65 6.07 Favored Glycine 0 C--N 1.299 -1.513 0 CA-C-N 113.725 -1.58 . . . . 0.0 112.429 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.86 58.01 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -113.22 113.78 3.24 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.605 ' O ' ' HG3' ' B' ' 93' ' ' LYS . 50.8 m -62.22 145.22 54.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.715 0.258 . . . . 0.0 111.54 -171.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -44.19 -51.21 8.35 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.51 0.724 . . . . 0.0 111.976 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -58.47 -39.7 80.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.983 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -67.3 -39.24 85.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' B' ' 89' ' ' SER . 21.1 mtpp -62.43 -39.54 93.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.127 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 27.0 m -59.25 -47.54 84.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -68.23 -33.08 73.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.756 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 51.6 m -59.82 -47.02 87.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.7 -45.48 81.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.83 89.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.773 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -75.86 -17.94 59.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.34 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' B' ' 103' ' ' ASN . . . -90.54 -31.27 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.734 0.302 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.0 mmt -65.61 -45.47 83.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.61 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -59.56 -34.79 73.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.222 0.534 . . . . 0.0 110.673 178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 12.4 t30 -59.56 -53.82 53.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.378 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.67 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.844 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 23.0 m-85 -65.2 -38.16 89.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.214 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.49 -14.43 60.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 73.1 mm-40 -89.57 -31.64 17.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.0 p -92.66 -78.68 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.864 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' B' ' 111' ' ' VAL . 4.0 t -84.81 -30.48 24.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.275 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.98 10.9 35.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.59 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.4 p -151.31 151.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.75 131.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.855 0.359 . . . . 0.0 111.193 -177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -87.35 105.72 17.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.661 173.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -58.54 -50.19 89.36 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.585 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 9.9 Cg_endo -53.47 -39.03 83.59 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 122.263 1.975 . . . . 0.0 112.469 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.613 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.7 t80 -59.72 -51.2 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.322 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -59.86 -37.66 72.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.88 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.72 -45.49 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.769 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -62.24 -30.64 71.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.896 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' B' ' 116' ' ' PHE . 43.2 mm -62.25 -41.1 90.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.045 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.5 p -66.11 -28.07 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -74.0 -34.14 64.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.093 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.04 -50.72 70.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.709 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 t -59.54 -39.82 80.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.307 0.575 . . . . 0.0 110.141 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 27.5 t -63.87 -48.73 75.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.31 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.544 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 23.6 ptm -66.39 -44.81 82.05 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.561 -175.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . 0.417 ' N ' ' HG3' ' B' ' 126' ' ' MET . 25.6 m-85 -65.72 -25.34 67.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.775 0.321 . . . . 0.0 110.876 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.55 73.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.037 0.446 . . . . 0.0 110.737 178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.544 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 2.4 mt-30 -84.94 -25.02 28.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.683 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.95 -60.11 3.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.612 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 68.33 26.36 74.26 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.852 176.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -81.2 12.81 3.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.742 0.782 . . . . 0.0 110.987 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.49 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -104.81 -32.59 8.76 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.871 178.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.3 -54.78 3.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.091 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.2 m 40.28 31.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 124.619 1.199 . . . . 0.0 113.486 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m 53.98 31.8 14.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.916 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.521 ' HB1' ' CD2' ' A' ' 6' ' ' HIS . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.562 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.254 -0.338 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -133.86 142.0 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.17 51.45 3.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.523 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.97 -11.75 15.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.93 0.395 . . . . 0.0 110.592 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -74.58 110.32 8.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.021 176.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.81 -44.71 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -175.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.44 155.34 45.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 p -141.22 161.46 53.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.88 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.6 -11.46 23.54 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.624 2.216 . . . . 0.0 112.891 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 25.8 p90 -126.17 22.54 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.195 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -76.87 -14.84 59.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.8 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -146.33 148.14 33.54 Favored Pre-proline 0 C--O 1.234 0.282 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 11.5 Cg_endo -56.98 -33.92 96.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.88 2.387 . . . . 0.0 113.095 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.83 -50.65 65.3 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.412 -0.423 . . . . 0.0 112.867 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.03 -33.4 70.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.651 -0.323 . . . . 0.0 110.808 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.94 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.863 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 15.3 pt-20 -75.37 -27.37 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.039 0.447 . . . . 0.0 110.477 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.571 ' HA ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 m-20 -67.47 -35.06 78.44 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -54.69 -35.14 63.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.492 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.44 -57.6 8.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.508 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 18' ' ' ASN . 10.2 p30 -70.54 -38.61 74.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.097 -175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.8 m -63.12 -25.94 68.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.005 0.431 . . . . 0.0 110.946 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 27' ' ' LEU . 70.7 t80 -78.83 -50.66 10.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.349 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.36 -37.41 87.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.08 -175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 16.9 mm-40 -57.18 -42.36 81.0 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -79.1 -37.8 24.19 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.278 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 23' ' ' PHE . 30.3 tp -68.49 -30.6 69.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.607 0.241 . . . . 0.0 111.411 -176.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -62.48 -23.32 66.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 p -104.81 15.18 28.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.343 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 21.9 mmt -96.63 148.41 34.4 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.6 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.85 160.3 43.64 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.328 2.019 . . . . 0.0 111.378 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.05 -41.87 2.08 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.418 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 57.7 m-85 -89.27 162.96 15.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.7 p -120.5 155.01 34.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.437 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -15.33 48.51 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -99.73 -27.26 13.74 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -76.24 -27.18 56.66 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.236 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 2.0 mm? -68.43 -36.37 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.092 178.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.16 -41.17 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 0.0 111.303 -175.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.542 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 17.0 t70 -70.16 -44.81 68.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.083 0.468 . . . . 0.0 110.002 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.467 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 14.2 ptm -74.38 -29.61 61.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.032 -177.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -69.16 -25.08 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.472 177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.0 m -74.98 -39.46 61.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 48' ' ' MET . 54.6 mt -62.98 -36.56 76.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.046 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -48.67 -57.92 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.277 175.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 49' ' ' VAL . 13.5 mt-30 -70.08 -21.81 63.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.731 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -67.6 -35.92 79.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.469 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 82.4 mmm -74.91 -36.91 62.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.482 0.658 . . . . 0.0 109.339 175.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 46' ' ' GLN . 41.9 t -62.77 -55.42 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.062 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.97 -20.24 61.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.162 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.555 ' HB2' ' OG ' ' B' ' 47' ' ' SER . 10.4 p -74.87 -38.1 62.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 48' ' ' MET . 80.0 mt -56.77 -47.73 82.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 172.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.19 -36.93 81.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.847 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.4 m -71.55 -29.18 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.341 . . . . 0.0 110.252 175.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.27 -42.04 76.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.565 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.25 68.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.992 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' A' ' 60' ' ' ARG . 49.9 mt-30 -80.5 -22.38 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.827 176.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.13 42.14 12.7 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.995 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HE ' HG23 ' B' ' 43' ' ' THR . 9.1 ptm180 -131.52 20.37 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.465 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.82 124.72 25.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.361 176.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 15.5 m -143.06 158.2 59.21 Favored Pre-proline 0 C--N 1.317 -0.828 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 17.8 Cg_endo -54.29 -44.96 44.63 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.106 2.537 . . . . 0.0 112.131 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -71.91 -31.79 66.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.02 -174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -42.94 75.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 110.286 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 62' ' ' SER . 59.6 mt -68.26 -41.54 80.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' B' ' 133' ' ' ASN . 32.4 tt0 -55.37 -54.71 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.084 176.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.97 -32.79 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.526 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -70.25 -30.82 67.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.786 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.1 -48.01 83.64 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.64 -36.74 70.82 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.704 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -57.76 -39.47 77.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.143 0.496 . . . . 0.0 110.267 175.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' MET . 70.0 t80 -67.63 -50.7 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.18 176.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -38.03 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.507 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 t -68.06 -45.53 73.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 80' ' ' ILE . 11.4 p -69.14 -35.95 76.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.911 0.386 . . . . 0.0 110.758 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.4 mmt -65.02 -37.78 88.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.63 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.35 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 73.3 tt0 -58.75 -55.55 33.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.75 177.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 76' ' ' SER . 29.6 mt -58.35 -38.13 67.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.645 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 93' ' ' LYS . . . -68.77 -47.84 65.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.415 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.17 -26.95 65.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.953 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.421 ' HA ' ' ND2' ' A' ' 133' ' ' ASN . 8.2 t -55.09 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.953 -178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -140.94 146.45 37.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.684 0.754 . . . . 0.0 112.17 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 88' ' ' GLY . 0.7 OUTLIER -98.87 -166.09 1.32 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 114.187 -1.37 . . . . 0.0 109.162 172.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -49.32 0.44 Allowed Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.573 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.6 9.6 73.63 Favored Glycine 0 CA--C 1.504 -0.644 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 85' ' ' GLU . . . 170.39 -179.43 42.53 Favored Glycine 0 N--CA 1.436 -1.338 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.2 m -77.38 167.56 21.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 117.134 0.467 . . . . 0.0 110.243 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.3 tp -56.25 -46.66 79.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.816 0.341 . . . . 0.0 110.329 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -60.04 -39.45 85.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -58.09 -50.11 74.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.124 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 85' ' ' GLU . 7.7 ptmm? -82.97 2.36 35.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.2 m -86.88 -51.7 5.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 171.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -63.14 -31.0 72.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.671 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 t -52.94 -48.71 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.742 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.72 -45.83 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.01 76.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.648 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 t -72.15 -33.42 67.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.15 -31.11 30.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.326 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.2 mmt -60.46 -47.66 85.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.178 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 p -63.35 -33.54 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 0.0 110.676 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 6.3 t30 -63.77 -44.5 93.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.569 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.82 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.799 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 54.8 m-85 -68.14 -37.36 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.05 0.452 . . . . 0.0 110.961 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.53 -19.92 62.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.3 mm-40 -88.18 -23.21 23.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.953 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -94.93 -72.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.729 0.3 . . . . 0.0 111.73 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.9 p -89.64 -43.16 10.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 114.86 -4.51 22.62 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 13.4 p -129.63 146.88 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.402 178.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.53 127.6 74.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.868 0.366 . . . . 0.0 111.018 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -74.27 114.82 13.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.264 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.504 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 9.8 tt0 -56.63 -53.7 61.68 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.769 -177.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.69 -37.95 84.27 Favored 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 122.346 2.031 . . . . 0.0 112.833 -178.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' O ' HG12 ' A' ' 120' ' ' ILE . 56.7 t80 -57.36 -52.83 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.452 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 41.0 mm -59.49 -39.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.007 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.27 -42.91 96.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.124 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.488 ' HA ' HE21 ' A' ' 122' ' ' GLN . 15.9 mm-40 -70.25 -29.62 66.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.091 -174.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 116' ' ' PHE . 51.6 mm -56.09 -34.57 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.612 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.8 p -60.79 -33.15 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.55 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 119' ' ' GLU . 47.4 mt-30 -70.0 -32.5 70.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 -178.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.98 -54.19 42.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.73 -38.45 75.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.221 0.534 . . . . 0.0 110.13 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.0 t -63.67 -48.91 75.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.499 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.6 ptm -68.57 -38.84 81.06 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -66.82 -16.76 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.462 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.27 95.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.793 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -27.78 48.41 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -59.61 -62.44 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.333 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 70.28 4.33 50.07 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.747 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.73 5.19 22.19 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 121.675 0.75 . . . . 0.0 111.129 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -91.5 -44.06 9.32 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.161 -1.381 . . . . 0.0 109.608 175.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -78.26 -46.25 20.76 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.132 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.4 m 41.52 87.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.19 0 O-C-N 124.855 1.347 . . . . 0.0 112.122 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.2 m -70.75 54.95 0.17 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.959 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -178.275 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 112.12 -0.392 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -92.25 75.47 5.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.112 0.482 . . . . 0.0 110.854 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.95 113.94 4.16 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.201 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.447 ' N ' HD22 ' B' ' 4' ' ' ASN . 0.9 OUTLIER -77.1 85.18 3.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.254 0.549 . . . . 0.0 109.749 178.58 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -81.13 103.41 10.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -70.01 -37.16 75.57 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.5 t -179.41 179.19 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.048 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.586 ' OG1' ' HB ' ' B' ' 11' ' ' THR . 2.7 p -126.13 145.39 52.19 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -63.94 -15.62 50.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.493 2.129 . . . . 0.0 112.7 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -122.02 25.65 8.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.051 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.586 ' HB ' ' OG1' ' B' ' 8' ' ' THR . 14.0 t -75.38 -26.62 58.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -140.11 151.94 66.16 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.628 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 50.9 Cg_exo -55.11 -33.39 83.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.117 2.545 . . . . 0.0 113.138 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.74 -10.13 60.41 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.38 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -109.57 -33.63 6.73 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.91 0.386 . . . . 0.0 109.974 173.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.06 89.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.945 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.628 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -86.1 -16.63 37.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.203 -179.149 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . 0.457 ' HA ' ' ND2' ' B' ' 21' ' ' ASN . 1.1 t-20 -61.97 -35.11 77.5 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 176.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -56.32 -40.91 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 175.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -61.73 -53.75 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.846 -173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 10.6 p30 -72.22 -37.48 69.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -174.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.8 p -68.21 -40.02 82.26 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.487 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.12 -49.77 75.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.644 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 75.8 mmm -61.4 -39.94 92.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 76.1 mt-30 -64.39 -46.74 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.284 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.559 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -63.86 -44.71 95.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.257 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' B' ' 30' ' ' MET . 30.5 tp -65.68 -28.85 69.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.791 0.329 . . . . 0.0 111.079 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 34.4 t -65.29 -15.56 62.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.9 t -111.64 13.43 21.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.281 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 24.5 mmt -101.69 148.73 35.68 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.268 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -75.96 151.76 35.67 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.292 1.995 . . . . 0.0 111.231 174.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.29 -16.09 49.68 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.726 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' B' ' 93' ' ' LYS . 47.3 m-85 -122.76 130.52 53.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.962 0.41 . . . . 0.0 111.21 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 39.0 p -88.12 156.21 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.05 -10.65 15.04 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -94.2 -27.16 16.34 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.31 -35.94 30.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.473 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.09 -36.37 77.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.489 175.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.89 -42.45 98.01 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.148 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' THR . 12.5 t70 -69.03 -44.7 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.034 -175.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.497 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 10.8 ptm -77.96 -25.58 48.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.277 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 18.5 t -65.35 -24.01 67.14 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 109.739 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.534 HG23 ' HE ' ' A' ' 60' ' ' ARG . 74.7 m -64.28 -43.01 96.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.43 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' B' ' 48' ' ' MET . 49.9 mt -69.47 -37.21 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.346 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.444 ' O ' HG23 ' B' ' 49' ' ' VAL . . . -52.38 -59.15 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.905 0.383 . . . . 0.0 110.651 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -32.28 70.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.093 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.555 ' OG ' ' HB2' ' A' ' 51' ' ' SER . 8.0 t -65.26 -43.36 91.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.905 0.384 . . . . 0.0 110.027 179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 75.8 mmm -72.65 -40.87 66.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.35 0.595 . . . . 0.0 109.59 -178.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 45' ' ' ALA . 36.5 t -55.01 -46.52 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.808 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.85 -26.29 40.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.861 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 72.9 m -65.13 -42.98 93.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 173.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 89.4 mt -57.36 -44.71 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.669 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.05 -32.91 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.143 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.3 m -69.63 -34.29 73.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.578 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.88 -38.22 73.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.226 175.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.2 91.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.412 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.71 -36.45 83.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.14 -27.07 53.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.094 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.65 33.95 6.84 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.795 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.74 35.24 4.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 111.33 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -87.63 121.66 30.34 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.459 0.647 . . . . 0.0 111.064 175.505 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 9.4 m -128.39 150.36 74.09 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.78 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.76 -41.48 69.46 Favored 'Trans proline' 0 C--O 1.224 -0.216 0 C-N-CA 122.736 2.291 . . . . 0.0 112.435 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -65.41 -46.27 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.412 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.542 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 27.6 mtmm -62.42 -41.25 98.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.612 0.244 . . . . 0.0 111.376 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.86 -42.91 89.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.134 0.492 . . . . 0.0 109.807 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -56.37 -55.48 33.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.388 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.452 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -62.16 -31.64 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.457 -177.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 mt -68.43 -30.24 69.08 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.599 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.85 -44.42 93.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 97.0 mmm -74.6 -36.61 62.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.55 -40.18 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.559 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.559 ' O ' ' HG2' ' B' ' 77' ' ' MET . 71.4 t80 -66.94 -47.94 70.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.465 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.16 -35.81 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.492 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.2 t -67.13 -49.4 64.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.463 ' O ' HG13 ' B' ' 80' ' ' ILE . 6.7 p -64.78 -36.13 83.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.0 110.883 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.4 mmt -62.64 -37.17 85.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.208 177.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.65 80.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.663 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.722 ' OE1' ' HA ' ' A' ' 68' ' ' ALA . 85.6 tt0 -60.91 -50.63 72.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.118 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 76' ' ' SER . 22.2 mt -56.54 -40.53 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.46 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.25 -49.47 55.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.154 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.75 -9.6 38.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.086 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.439 ' HA ' ' ND2' ' B' ' 133' ' ' ASN . 22.7 t -76.28 -72.8 0.31 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.513 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -147.91 -176.38 5.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.364 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -170.05 -174.49 1.78 Allowed 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.861 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.55 -76.91 1.15 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.859 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.66 17.18 10.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.5 -0.857 . . . . 0.0 113.111 -173.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.84 -149.85 24.42 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.675 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -154.96 156.49 36.11 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.21 -49.57 71.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.346 0.404 . . . . 0.0 110.853 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -61.75 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -57.35 -50.62 72.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.471 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 0.1 OUTLIER -76.03 -23.43 55.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.238 -173.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 86.1 m -66.58 -48.89 68.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.171 0.51 . . . . 0.0 109.719 174.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 19.5 t -70.44 -24.19 62.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.112 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -65.06 -54.01 36.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.205 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' B' ' 101' ' ' MET . 68.5 mt -61.65 -41.01 88.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.68 -48.04 80.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.117 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.3 t -65.9 -36.78 84.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.605 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -70.8 -35.04 72.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.051 0.453 . . . . 0.0 111.098 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 97' ' ' ILE . 25.8 mmt -66.14 -34.29 77.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.5 m -64.52 -43.72 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.666 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.2 p-10 -75.74 -26.51 57.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.664 -176.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.63 93.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 111.008 178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 24.1 m-85 -67.04 -33.88 76.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 0.0 110.851 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.57 -19.09 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.224 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.666 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 71.0 mm-40 -86.46 -42.49 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.686 178.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -74.32 -73.39 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.837 -177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 30.0 p -87.03 -38.99 16.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.061 0.458 . . . . 0.0 111.077 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.66 6.55 30.66 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.9 p -140.48 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.9 p -108.68 130.75 60.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.258 0.552 . . . . 0.0 111.167 -175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.546 ' OD1' ' HD2' ' B' ' 115' ' ' PRO . 56.8 t30 -87.81 113.2 23.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.742 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.47 ' HB2' ' HD3' ' B' ' 115' ' ' PRO . 27.5 mt-30 -61.47 -52.14 72.25 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.546 ' HD2' ' OD1' ' B' ' 113' ' ' ASN . 79.8 Cg_exo -47.66 -41.82 30.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 122.276 1.984 . . . . 0.0 112.625 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.601 ' O ' HG12 ' B' ' 120' ' ' ILE . 50.3 t80 -60.54 -55.55 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.335 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 113' ' ' ASN . 42.6 mm -57.87 -39.11 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.994 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.75 -42.52 86.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.747 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 28.8 mm-40 -70.78 -26.02 63.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 116' ' ' PHE . 51.4 mm -61.83 -36.6 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 63.3 p -61.74 -34.56 76.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 0.0 110.837 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -70.56 -35.15 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.802 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.07 -55.41 34.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.377 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -39.2 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.522 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 16.5 t -67.99 -47.84 67.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.538 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.7 ptm -67.77 -35.53 78.85 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -71.01 -22.45 62.15 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.163 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.98 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.6 mp0 -79.25 -33.2 43.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.932 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.9 -52.03 53.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.234 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 59.57 29.75 67.36 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.368 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.17 4.74 22.16 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-O 121.826 0.822 . . . . 0.0 110.792 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' B' ' 83' ' ' SER . 0.3 OUTLIER -87.69 -44.46 11.17 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 174.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.5 -39.7 17.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.492 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.432 ' C ' ' H ' ' B' ' 137' ' ' ALA . 34.5 m 42.16 85.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.383 0 O-C-N 124.657 1.223 . . . . 0.0 111.706 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.8 m -72.2 41.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.247 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' B' ' 135' ' ' VAL . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.176 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' HA2' ' OD1' ' A' ' 4' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 m 62.51 98.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.382 0.61 . . . . 0.0 111.32 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.57 34.17 2.72 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 14.9 m120 -112.3 96.35 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -176.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -73.53 104.87 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -70.78 -44.51 66.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t -162.34 150.17 14.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.672 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.2 p -147.12 151.31 40.76 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.162 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.15 -33.14 91.38 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.279 1.986 . . . . 0.0 112.091 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.8 p90 -94.25 23.34 5.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.525 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -77.7 -16.48 58.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.358 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.72 147.18 22.08 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-O 120.537 0.208 . . . . 0.0 111.304 -176.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -54.39 -36.57 87.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.607 2.871 . . . . 0.0 113.628 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.13 -38.81 88.09 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.113 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.9 mt -87.42 -29.52 21.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.697 -0.296 . . . . 0.0 110.732 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.47 95.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.16 -21.2 43.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.031 0.443 . . . . 0.0 110.525 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -37.68 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.172 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -55.61 -43.91 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.5 mmt -64.46 -45.22 88.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.392 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -64.76 -45.37 86.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.239 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.6 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 16.2 p -74.04 -19.1 60.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.722 -175.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CE2' HD22 ' A' ' 27' ' ' LEU . 81.2 t80 -82.33 -57.85 3.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.022 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.8 mmm -63.52 -31.59 72.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.343 -0.39 . . . . 0.0 112.038 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.6 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 25.9 pt20 -63.47 -28.46 69.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.388 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.55 -31.43 7.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.874 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 33' ' ' PHE . 40.5 tp -67.25 -30.11 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.196 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 t -69.84 -1.78 10.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 t -116.22 14.12 15.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.098 0.475 . . . . 0.0 109.826 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.8 mmt -100.08 138.32 20.26 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -177.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.77 -12.5 22.03 Favored 'Trans proline' 0 N--CA 1.474 0.353 0 C-N-CA 123.121 2.547 . . . . 0.0 113.013 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.49 -12.34 80.22 Favored Glycine 0 C--N 1.316 -0.543 0 CA-C-N 115.312 -0.858 . . . . 0.0 113.844 -175.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' HD11 ' A' ' 27' ' ' LEU . 72.1 m-85 -122.02 164.83 17.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.181 0.515 . . . . 0.0 111.796 -177.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 44.3 p -111.84 174.4 5.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.456 178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.51 72.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.572 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.3 m -72.92 -46.35 53.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.27 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -64.31 -33.27 75.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.945 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 34' ' ' THR . 77.0 mt -64.19 -36.17 83.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.35 -51.09 70.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.069 0.461 . . . . 0.0 110.193 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' HA ' ' NZ ' ' B' ' 65' ' ' LYS . 55.0 m-20 -60.8 -45.57 93.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.312 -176.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.531 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 6.5 ptm -79.7 -26.64 40.85 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.408 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -67.34 -32.72 73.87 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 174.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -64.77 -45.85 84.62 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.965 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' A' ' 48' ' ' MET . 66.5 mt -64.56 -42.85 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.829 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.6 -54.27 12.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.461 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' HG22 ' A' ' 49' ' ' VAL . 15.6 mt-30 -73.78 -30.83 62.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.58 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 51' ' ' SER . 8.9 t -61.55 -41.36 97.26 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.574 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -63.6 -48.66 76.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.761 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 46' ' ' GLN . 8.2 m -65.68 -33.29 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -76.85 -29.59 55.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.575 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 47' ' ' SER . 22.9 t -71.19 -38.05 72.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.956 174.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 48' ' ' MET . 78.7 mt -61.18 -43.18 95.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.11 175.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.04 -35.26 78.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.666 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.6 m -65.23 -40.36 93.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 0.0 110.501 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.0 mt -67.38 -38.26 84.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.92 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.67 91.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.67 -27.14 66.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.123 0.487 . . . . 0.0 111.237 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -88.53 -3.14 58.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.1 34.07 75.35 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.094 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -131.87 49.33 2.33 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.348 0.594 . . . . 0.0 111.411 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.87 122.75 41.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.553 173.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -137.37 150.86 70.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.38 -42.97 52.42 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.911 2.408 . . . . 0.0 112.596 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.58 -51.01 71.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.818 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -67.43 -35.33 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.61 -177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.58 -41.33 72.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.664 0.269 . . . . 0.0 110.486 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -61.44 -45.66 93.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.59 ' HA ' ' OE1' ' B' ' 79' ' ' GLU . . . -60.56 -33.87 73.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.981 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -70.68 -29.54 65.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.77 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -61.78 -47.47 85.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 175.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.414 ' SD ' ' CE2' ' A' ' 116' ' ' PHE . 96.0 mmm -75.52 -36.14 60.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -52.36 -44.0 64.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.87 0.367 . . . . 0.0 110.137 174.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' O ' ' HG2' ' A' ' 77' ' ' MET . 77.4 t80 -68.17 -49.23 62.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.496 177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -60.78 -33.72 73.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.012 -177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 m -77.81 -30.76 51.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.84 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.553 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 10.3 p -88.26 4.57 45.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.05 0.452 . . . . 0.0 111.136 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.3 mmt -97.14 -15.73 20.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 169.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.05 -53.16 8.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.963 -175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.514 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -70.85 -31.69 68.47 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.603 -177.262 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mt -57.19 -44.16 83.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.324 0.583 . . . . 0.0 109.509 174.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . . . -69.27 -54.3 15.38 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.622 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.55 -49.45 64.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.676 -175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -57.72 -66.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -171.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.06 153.55 23.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.541 0.686 . . . . 0.0 112.221 -168.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.26 -174.24 2.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.191 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.89 -133.75 4.06 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.042 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.96 1.9 71.42 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.49 115.88 3.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.08 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.9 t -69.98 172.4 7.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.23 -41.34 96.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.074 0.464 . . . . 0.0 110.167 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -69.12 -36.75 77.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.301 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.2 m -66.32 -48.0 71.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.359 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -66.93 -33.96 76.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.143 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.7 m -67.59 -48.81 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.935 0.397 . . . . 0.0 111.038 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.8 p -68.93 -30.43 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.822 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -54.52 -53.39 55.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.792 177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.1 mt -65.87 -42.94 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.78 179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.55 80.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.99 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.6 t -67.14 -35.62 80.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.873 0.368 . . . . 0.0 110.715 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -78.24 -28.84 47.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.5 mmt -70.13 -35.78 74.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.293 0.568 . . . . 0.0 109.773 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.405 ' HA ' HG21 ' A' ' 112' ' ' VAL . 37.6 t -65.42 -39.9 92.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.165 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.663 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.1 p-10 -76.65 -23.33 53.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.92 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.88 -39.72 90.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.915 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.582 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 45.4 m-85 -72.56 -29.99 64.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.731 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.66 -13.93 61.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.33 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.663 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 72.0 mm-40 -94.0 -40.73 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.687 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -74.3 -54.73 7.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.318 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 t -115.39 -27.28 7.25 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.498 -178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.62 31.55 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.503 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 14.6 p -153.27 151.88 10.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.405 HG21 ' HA ' ' A' ' 102' ' ' SER . 3.9 p -125.82 132.42 70.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 0.0 111.003 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.38 120.01 20.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.311 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.44 ' HB2' ' HD3' ' A' ' 115' ' ' PRO . 25.1 mp0 -56.0 -50.41 87.46 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.161 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.492 ' O ' ' HG3' ' A' ' 119' ' ' GLU . 93.2 Cg_exo -44.74 -47.89 11.1 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.345 2.03 . . . . 0.0 112.87 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.603 ' O ' HG12 ' A' ' 120' ' ' ILE . 64.7 t80 -54.67 -50.18 68.83 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.518 0.512 . . . . 0.0 111.261 -177.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.2 mm -67.07 -33.76 65.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.244 0.545 . . . . 0.0 110.26 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -73.79 -22.51 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.815 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 115' ' ' PRO . 39.8 mt-10 -76.43 -47.43 23.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.313 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 116' ' ' PHE . 33.1 mm -60.19 -39.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.296 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -61.98 -27.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.096 0.474 . . . . 0.0 111.518 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -83.3 -29.55 28.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.66 -46.19 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.18 -38.19 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.052 0.453 . . . . 0.0 110.978 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.7 p -78.47 -41.34 32.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.877 -175.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -63.29 -43.31 98.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.707 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.82 -30.22 71.22 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.622 0.249 . . . . 0.0 111.243 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.77 -39.75 91.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.171 0.51 . . . . 0.0 111.081 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 129' ' ' GLN . 2.0 mt-30 -84.98 -24.38 28.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.924 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.29 -57.03 14.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 82.08 33.11 27.29 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.029 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -76.68 1.14 17.87 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.261 1.029 . . . . 0.0 110.335 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -31.84 12.15 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 113.507 -1.679 . . . . 0.0 109.485 177.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.34 -50.88 6.96 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.129 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m 37.33 32.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 114.358 -1.292 . . . . 0.0 114.288 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.7 t 59.23 24.92 13.41 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.143 0.496 . . . . 0.0 111.399 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 -178.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -112.89 121.52 44.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.874 0.369 . . . . 0.0 110.025 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.68 38.96 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.982 -0.627 . . . . 0.0 111.786 -178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -82.54 108.37 15.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.841 0.353 . . . . 0.0 110.075 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -71.53 94.1 1.26 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.027 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -116.25 -70.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.353 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.73 126.59 50.57 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -152.07 142.63 15.21 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.903 167.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.4 -19.9 61.4 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.432 2.088 . . . . 0.0 112.298 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -109.69 26.46 10.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.213 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.447 HG23 HD22 ' B' ' 12' ' ' ASN . 15.0 t -76.38 -15.86 59.85 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.264 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.447 HD22 HG23 ' B' ' 11' ' ' THR . 11.7 p30 -150.21 152.38 33.41 Favored Pre-proline 0 C--O 1.235 0.296 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.606 ' O ' ' HG3' ' B' ' 17' ' ' GLU . 12.1 Cg_endo -56.18 -36.6 96.78 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.821 2.347 . . . . 0.0 112.889 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.44 8.55 9.5 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 123.418 0.449 . . . . 0.0 113.855 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -125.03 -30.59 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 170.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.31 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.543 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -80.65 -33.3 35.76 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.696 179.291 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.57 -37.84 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.911 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -53.51 -43.01 67.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.071 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 mmt -61.45 -46.33 90.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.393 0.616 . . . . 0.0 109.838 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -64.96 -44.13 90.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.507 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' B' ' 107' ' ' GLN . 53.6 p -67.69 -15.14 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.797 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.46 ' CE2' HD22 ' B' ' 27' ' ' LEU . 77.8 t80 -90.19 -51.31 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 110.644 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 94.3 mmm -66.47 -22.03 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.146 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -63.29 -34.53 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.816 0.341 . . . . 0.0 110.817 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.66 -33.33 6.79 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.306 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' B' ' 33' ' ' PHE . 40.0 tp -65.62 -25.81 67.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 111.224 -177.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.1 t -63.93 -17.18 62.98 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 44.5 m -122.08 32.77 5.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.959 0.409 . . . . 0.0 110.805 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 22.4 mmt -98.97 137.47 20.5 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.485 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.83 -26.9 37.93 Favored 'Trans proline' 0 N--CA 1.473 0.297 0 C-N-CA 123.009 2.473 . . . . 0.0 113.595 -174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.31 82.6 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.991 -0.624 . . . . 0.0 114.191 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' B' ' 27' ' ' LEU . 24.4 m-85 -116.37 170.12 8.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.496 0.648 . . . . 0.0 112.446 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 55.4 p -118.96 178.65 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.234 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.89 -11.49 58.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.288 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -90.77 -42.51 10.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.548 ' NE2' ' HB2' ' B' ' 84' ' ' GLU . 0.5 OUTLIER -57.02 -46.98 81.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.785 -179.282 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.21 -44.38 92.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.904 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -65.39 -45.73 82.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.346 . . . . 0.0 110.94 -177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' B' ' 43' ' ' THR . 0.9 OUTLIER -67.01 -42.04 85.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.343 -177.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.514 ' HB2' ' SD ' ' B' ' 77' ' ' MET . 11.7 ptm -77.2 -30.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.035 -177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.0 t -64.39 -30.11 71.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.399 0.619 . . . . 0.0 109.401 174.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' B' ' 40' ' ' ASP . 69.0 m -62.42 -42.54 99.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.217 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.587 ' O ' ' HG2' ' B' ' 48' ' ' MET . 51.5 mt -73.59 -35.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.451 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.01 -49.64 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.182 0.515 . . . . 0.0 110.467 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.491 ' HA ' HG22 ' B' ' 49' ' ' VAL . 22.4 mt-30 -67.01 -35.1 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 49.9 m -59.54 -37.58 78.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.462 . . . . 0.0 110.281 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' ILE . 77.7 mmm -69.08 -44.72 71.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.353 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' B' ' 46' ' ' GLN . 8.6 m -69.86 -34.48 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 120.812 0.339 . . . . 0.0 111.217 -177.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' B' ' 46' ' ' GLN . 43.6 mt-30 -70.36 -38.54 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.619 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.474 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 70.3 m -61.21 -46.24 91.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.839 175.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.72 -41.24 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -64.65 -40.71 95.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.294 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -63.11 -37.66 88.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.445 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.3 -33.66 73.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.834 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.96 86.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.655 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.29 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.008 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.4 ' NE2' ' HD3' ' B' ' 60' ' ' ARG . 26.6 mt-30 -86.04 -16.01 39.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.935 178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.33 36.16 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.249 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.4 ' HD3' ' NE2' ' B' ' 58' ' ' GLN . 28.4 mtp180 -116.19 19.16 15.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 -177.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 13.5 p -74.83 120.01 19.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.042 0.448 . . . . 0.0 111.14 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -136.83 147.09 57.85 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.779 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.14 -37.45 79.74 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.061 2.507 . . . . 0.0 112.781 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -61.12 -50.2 74.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.486 ' NZ ' ' HA ' ' A' ' 40' ' ' ASP . 49.5 mttm -64.68 -41.94 95.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.485 -177.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.97 -42.86 89.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.25 -48.88 77.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.915 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -38.47 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.079 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.31 -33.79 76.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.768 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' B' ' 70' ' ' ASN . 9.4 m120 -60.89 -42.41 97.92 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.104 175.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 94.6 mmm -73.34 -41.19 63.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.561 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.553 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -53.41 -40.91 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.948 0.404 . . . . 0.0 110.255 175.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.606 ' O ' ' HG2' ' B' ' 77' ' ' MET . 76.9 t80 -67.41 -53.92 24.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.454 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.452 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.22 -35.44 71.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.945 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -78.0 -39.62 41.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.045 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.598 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . 22.7 p -70.95 -31.49 68.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 29.3 mmt -67.62 -25.44 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 109.957 176.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -51.25 20.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.681 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.598 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 11.2 pt-20 -62.12 -41.51 98.31 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.161 -177.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.557 HD11 HD12 ' B' ' 44' ' ' ILE . 16.4 mt -60.13 -45.43 95.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' B' ' 33' ' ' PHE . . . -66.42 -42.54 87.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 110.441 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.15 -35.53 71.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.921 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -64.38 -78.37 0.05 OUTLIER 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.548 ' HB2' ' NE2' ' B' ' 37' ' ' GLN . 2.9 mp0 -76.97 170.61 16.2 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.375 0.607 . . . . 0.0 111.63 -175.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.69 -167.16 2.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.667 -176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.01 -66.34 0.53 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.988 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -106.19 -0.76 38.36 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.755 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.41 119.27 1.75 Allowed Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.333 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -73.59 178.53 4.65 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.31 -39.38 82.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.887 0.375 . . . . 0.0 110.538 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -75.94 -31.02 58.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.087 0.47 . . . . 0.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 3.6 m -70.26 -51.23 32.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.3 -33.42 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 84.6 m -68.06 -45.52 73.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.241 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 9.1 p -71.81 -31.2 66.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.385 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -58.61 -44.68 90.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.789 0.328 . . . . 0.0 110.76 177.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 65.9 mt -68.89 -48.18 71.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.598 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.85 84.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.4 -178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -60.62 -44.0 96.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.673 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.8 75.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.18 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.8 mmt -62.48 -42.44 99.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -59.12 -33.4 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.537 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 5.5 t30 -76.26 -42.46 45.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.18 -42.24 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.756 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.653 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 54.3 m-85 -65.68 -31.56 72.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 0.0 111.394 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.89 -22.76 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.756 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 31.5 mm-40 -78.64 -39.32 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.37 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -85.0 -69.16 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.505 -174.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 5.9 t -97.81 -31.9 11.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.703 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.46 24.72 9.9 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.564 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.653 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -158.28 149.85 8.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.04 128.58 57.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.76 0.314 . . . . 0.0 111.652 -174.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -74.38 101.26 4.03 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 23.3 tp60 -53.59 -52.91 62.74 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -174.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 10.1 Cg_endo -53.46 -43.09 60.48 Favored 'Trans proline' 0 C--N 1.359 1.081 0 C-N-CA 122.257 1.972 . . . . 0.0 112.402 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.461 ' O ' HG12 ' B' ' 120' ' ' ILE . 46.1 t80 -53.87 -45.91 71.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.28 -176.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -66.84 -31.14 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.582 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.7 -10.77 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 -177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 115' ' ' PRO . 40.6 mt-10 -85.59 -42.26 14.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 178.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.461 HG12 ' O ' ' B' ' 116' ' ' PHE . 16.8 mm -62.81 -30.67 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.181 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 28.0 p -66.22 -20.95 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.489 . . . . 0.0 111.498 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -90.88 -28.15 18.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.579 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 97.2 mt -69.5 -50.94 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.096 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 23.1 t -58.92 -39.1 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 9.4 p -74.3 -46.13 43.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.708 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.5 ptm -61.62 -43.44 98.85 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.525 -175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.61 -31.51 72.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -41.78 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.233 0.54 . . . . 0.0 110.687 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' B' ' 129' ' ' GLN . 3.3 mt-30 -74.21 -39.07 63.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.743 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.65 68.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.909 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.56 31.83 39.68 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.405 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -71.61 0.37 8.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.633 0.73 . . . . 0.0 110.93 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.644 HD22 ' N ' ' B' ' 134' ' ' ASP . 0.4 OUTLIER -99.49 -21.65 15.84 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.256 178.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.644 ' N ' HD22 ' B' ' 133' ' ' ASN . 7.4 t70 -100.73 -44.8 5.69 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.704 -177.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.8 m 41.63 27.95 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 30.6 t 55.19 39.72 31.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.354 0.409 . . . . 0.0 111.294 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.422 -179.429 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -99.04 90.62 4.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.041 0.448 . . . . 0.0 110.391 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.65 -138.32 10.8 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 57.13 30.47 18.35 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.62 0.368 . . . . 0.0 111.413 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -62.91 112.42 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.909 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -122.5 167.81 12.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.048 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -66.05 141.61 58.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.402 0.62 . . . . 0.0 111.14 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 11' ' ' THR . 2.2 p -151.08 163.98 21.8 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.872 -176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.98 2.38 3.71 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.542 2.161 . . . . 0.0 112.731 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -138.84 18.4 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.72 0.295 . . . . 0.0 110.948 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.584 HG23 ' OD1' ' A' ' 12' ' ' ASN . 10.1 t -67.39 -28.06 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.185 0.517 . . . . 0.0 110.95 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.584 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.6 p-10 -159.96 153.16 18.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.0 Cg_endo -51.05 -35.42 50.82 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.181 2.587 . . . . 0.0 112.706 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -12.73 31.87 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.846 -0.616 . . . . 0.0 113.807 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -115.81 -26.16 7.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.297 0.549 . . . . 0.0 110.879 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.05 97.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.736 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 13' ' ' PRO . 14.1 pt-20 -78.42 -7.97 57.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.151 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.483 HD22 ' N ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -83.37 -27.58 29.56 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.279 -0.263 . . . . 0.0 110.861 -178.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.32 -52.21 66.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.918 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -30.17 61.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.482 0.182 . . . . 0.0 111.275 -176.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -65.08 -45.94 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.208 0.527 . . . . 0.0 109.896 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 49.1 m -66.9 -22.3 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.359 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 27' ' ' LEU . 87.7 t80 -78.93 -56.88 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.794 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.99 -29.86 71.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.056 -175.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 22' ' ' SER . 23.9 pt20 -67.99 -17.45 64.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 111.216 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.84 -24.18 6.17 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.542 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD22 ' CE2' ' A' ' 23' ' ' PHE . 33.8 tp -71.91 -22.79 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.536 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -63.92 -18.81 64.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.524 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -107.48 16.8 23.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.029 0.442 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.6 mmt -102.99 150.28 37.66 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.818 -176.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.52 171.97 17.09 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.533 2.156 . . . . 0.0 110.914 172.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HA3' ' A' ' 88' ' ' GLY . . . 90.57 -47.64 3.04 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.47 -0.872 . . . . 0.0 112.403 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -102.97 122.5 44.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.938 0.399 . . . . 0.0 110.587 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 46.8 p -86.7 166.09 15.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.55 -35.25 40.13 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.317 0.386 . . . . 0.0 111.694 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -65.67 -46.37 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.317 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 84' ' ' GLU . 11.1 mm100 -71.82 -25.14 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -169.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -69.43 -21.57 63.73 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.508 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.51 -41.71 94.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.251 0.548 . . . . 0.0 109.77 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD1' ' HG3' ' B' ' 65' ' ' LYS . 39.3 m-20 -66.48 -42.51 87.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.619 -177.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 80' ' ' ILE . 12.4 mtp -76.37 -38.8 55.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.678 -175.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -63.57 -26.74 68.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 110.261 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.4 m -62.66 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.331 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' O ' ' HG2' ' A' ' 48' ' ' MET . 45.1 mt -72.86 -36.08 51.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.422 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.06 -45.32 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.743 176.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.476 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -70.26 -37.98 75.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.886 177.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.2 t -56.38 -43.36 79.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.554 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 88.4 mmm -68.29 -45.5 72.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.297 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 33.2 m -65.52 -39.38 84.93 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.756 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.25 -45.27 93.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.483 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.2 m -56.97 -46.67 82.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.047 177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 99.0 mt -63.58 -46.73 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.786 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 9.1 pt20 -70.23 -27.49 64.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -67.15 -34.79 78.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 0.0 110.064 173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 51' ' ' SER . 46.8 mt -63.42 -36.18 82.88 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.092 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.51 -34.97 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.507 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.87 -42.1 64.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.74 177.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -70.57 -20.82 62.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.268 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.16 49.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.011 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' O ' ' HD2' ' A' ' 65' ' ' LYS . 14.4 mtp180 -111.92 31.59 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.507 -175.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -82.99 128.51 34.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.369 0.604 . . . . 0.0 111.979 -176.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -151.6 146.13 18.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -55.72 -49.75 14.79 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.735 2.29 . . . . 0.0 112.484 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -71.02 -27.91 64.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HD2' ' O ' ' A' ' 60' ' ' ARG . 18.4 ttmm -73.42 -35.92 65.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.085 0.469 . . . . 0.0 109.844 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.35 -34.05 75.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.535 173.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.3 -34.94 76.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.69 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.6 -4.1 28.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.167 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.9 mt -112.98 5.23 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -89.09 -53.31 4.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.59 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.444 ' HG2' ' CE2' ' A' ' 116' ' ' PHE . 33.3 mtp -79.99 -22.99 41.87 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.8 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -56.76 -33.52 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.079 0.466 . . . . 0.0 110.497 172.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 77' ' ' MET . 81.0 t80 -76.99 -42.57 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 0.0 110.114 175.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.51 -32.1 72.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.639 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -81.67 -40.65 22.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.321 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.538 ' O ' HG13 ' A' ' 80' ' ' ILE . 5.7 p -63.73 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.074 0.464 . . . . 0.0 110.803 178.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 29.1 mmt -65.64 -31.49 72.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.946 0.403 . . . . 0.0 110.226 174.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.87 -39.92 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 76' ' ' SER . 10.5 pt-20 -71.72 -22.91 61.56 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.859 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 76' ' ' SER . 5.1 mt -75.22 -48.18 32.67 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.434 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -60.71 -51.46 69.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.146 -176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.98 98.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.394 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 m -78.81 -46.42 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.879 -176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HB3' HE21 ' A' ' 37' ' ' GLN . 31.3 mm-40 -96.5 138.28 34.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.724 0.773 . . . . 0.0 112.351 -174.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -95.15 -155.9 0.49 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.675 177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 156.69 -94.17 0.14 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.341 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.2 25.38 6.71 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.688 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA3' ' HA2' ' A' ' 32' ' ' GLY . . . -173.89 155.14 21.27 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.95 178.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.3 t -83.64 -167.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.76 -40.76 80.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.9 m -68.49 -32.74 72.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.2 m -77.9 -48.88 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.872 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -61.17 -35.71 77.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 -177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -69.98 -48.09 59.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m -65.79 -33.1 75.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -59.58 -55.18 37.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.491 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 81' ' ' ALA . 56.7 mt -65.3 -40.36 88.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.339 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.39 9.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.89 -176.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.9 t -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.07 73.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.989 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.06 -47.2 75.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.6 177.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 18.4 m -57.67 -36.2 71.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.309 0.576 . . . . 0.0 110.276 176.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.8 t30 -64.05 -38.46 91.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.966 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.05 95.5 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 71.7 m-85 -66.28 -32.67 74.22 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.283 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.9 mt -71.9 -17.49 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 62.6 mm-40 -91.54 -36.28 13.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.723 0.297 . . . . 0.0 110.71 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.35 -71.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.447 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.3 p -87.95 -54.84 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.974 0.416 . . . . 0.0 111.008 -177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.82 -5.77 9.05 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.5 p -131.49 148.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.1 t -98.58 132.52 43.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.403 -175.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -78.41 99.76 6.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.509 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 36.1 tt0 -57.71 -49.49 93.48 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 51.3 Cg_exo -55.46 -38.17 94.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 121.79 1.66 . . . . 0.0 111.916 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.618 ' O ' HG12 ' A' ' 120' ' ' ILE . 28.5 t80 -60.55 -52.04 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.76 -39.96 85.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.277 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.257 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.11 -30.04 66.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.39 -176.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.3 mm -60.22 -37.19 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.195 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.1 p -63.84 -33.05 74.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.616 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 122' ' ' GLN . 18.8 mt-30 -70.49 -34.6 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.821 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 99.3 mt -60.8 -51.32 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.79 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.73 -35.39 70.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.175 0.512 . . . . 0.0 110.045 179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.2 t -66.27 -54.59 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.69 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.9 ptm -60.79 -39.82 90.29 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -65.92 -22.45 66.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.476 0.179 . . . . 0.0 111.313 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.89 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.748 0.308 . . . . 0.0 111.24 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -88.91 -24.54 22.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.781 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.47 -45.98 84.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.599 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.88 76.84 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.758 -0.656 . . . . 0.0 113.282 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -80.05 6.56 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.883 0.849 . . . . 0.0 110.638 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.51 -32.26 14.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 113.94 -1.482 . . . . 0.0 109.602 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -80.53 -34.14 35.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.82 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.9 m 41.11 44.88 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 124.234 0.959 . . . . 0.0 112.479 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.9 p 52.91 58.75 5.02 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.473 -177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HA ' ' ND2' ' B' ' 4' ' ' ASN . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.031 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -92.97 91.24 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.669 0.271 . . . . 0.0 110.846 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.93 -115.84 0.57 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.874 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.576 ' ND2' ' HA ' ' A' ' 137' ' ' ALA . 1.1 t-20 63.72 19.73 11.87 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.107 0.563 . . . . 0.0 111.47 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -83.74 85.93 7.21 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.246 0.546 . . . . 0.0 109.887 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.86 -179.03 5.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.863 -177.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.2 t -55.75 146.46 21.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.58 0.705 . . . . 0.0 112.407 -176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.526 ' H ' ' HB ' ' B' ' 11' ' ' THR . 2.9 p -152.14 166.51 15.13 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.791 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.46 -15.14 28.62 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 122.363 2.042 . . . . 0.0 112.708 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -126.92 23.79 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.027 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.526 ' HB ' ' H ' ' B' ' 8' ' ' THR . 8.8 t -66.16 -27.59 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.786 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.456 ' ND2' HG23 ' B' ' 11' ' ' THR . 12.2 p30 -152.58 155.4 32.65 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 177.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 50.5 Cg_exo -56.5 -28.33 73.21 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.98 2.453 . . . . 0.0 112.549 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.6 -11.37 56.86 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.074 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 98.0 mt -111.85 -39.81 4.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.854 0.359 . . . . 0.0 110.059 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.35 80.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.717 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 16.7 pt-20 -70.14 -26.31 63.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.517 . . . . 0.0 110.876 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -87.13 -7.64 57.8 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 122.132 -0.355 . . . . 0.0 111.217 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -65.97 -53.84 33.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -27.02 63.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.974 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.488 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 29.7 m-80 -64.32 -53.63 45.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 175.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -60.24 -33.56 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.672 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.575 ' CE2' HD22 ' B' ' 27' ' ' LEU . 80.4 t80 -65.54 -53.52 40.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.064 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 81.1 mmm -60.58 -37.81 82.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.718 -177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.4 mt-30 -57.26 -47.26 81.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.086 0.47 . . . . 0.0 110.472 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.492 ' O ' ' HG2' ' B' ' 30' ' ' MET . . . -76.25 -33.18 49.88 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.451 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.0 tp -71.87 -31.9 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.812 0.339 . . . . 0.0 111.278 -177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -67.96 -8.77 39.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.3 p -113.54 21.45 15.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.061 0.458 . . . . 0.0 110.406 175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 26' ' ' GLY . 23.9 mmt -109.11 147.32 35.69 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.0 151.31 30.68 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.095 1.863 . . . . 0.0 110.95 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . 0.523 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . 117.91 -39.76 2.52 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.556 176.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -102.11 126.25 49.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.334 0.588 . . . . 0.0 111.298 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 37.7 p -90.68 178.14 6.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.411 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.53 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.196 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.4 m -64.69 -48.74 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' B' ' 41' ' ' MET . 15.8 mm100 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.97 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.06 -33.81 76.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.574 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.97 -47.9 81.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.6 -45.12 84.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.434 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.1 ptp -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -174.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -64.24 -29.53 70.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.131 0.491 . . . . 0.0 109.739 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 56.3 m -68.27 -52.37 34.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.381 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.402 HD12 HD11 ' B' ' 80' ' ' ILE . 57.4 mt -64.23 -40.09 87.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.178 -178.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -43.98 71.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.89 0.376 . . . . 0.0 110.975 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.436 ' O ' HG22 ' B' ' 49' ' ' VAL . 0.0 OUTLIER -73.99 -35.78 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.013 179.09 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 4.2 t -62.65 -41.66 99.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.825 0.345 . . . . 0.0 110.141 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 81.5 mmm -65.24 -42.01 93.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.38 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 16.2 m -68.4 -35.66 71.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.641 -178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.35 -46.14 91.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.453 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 54.5 m -57.83 -49.54 76.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.314 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.84 -47.94 87.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.744 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 9.7 pt20 -69.51 -31.18 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.206 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 49.5 m -67.0 -34.07 76.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.991 0.424 . . . . 0.0 110.186 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 51' ' ' SER . 62.6 mt -69.7 -28.29 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.62 81.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.286 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.64 -31.16 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.116 0.484 . . . . 0.0 110.993 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -83.59 -3.78 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.155 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.91 32.98 84.35 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.546 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -111.84 15.91 20.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.643 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -80.31 121.01 25.12 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 34.9 m -143.85 158.49 56.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.627 -177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 12.2 Cg_endo -51.81 -43.23 52.88 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.47 2.78 . . . . 0.0 112.577 -177.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -83.1 -36.94 24.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.628 -176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.473 ' HG3' ' OD1' ' A' ' 40' ' ' ASP . 20.3 mtmm -69.05 -35.32 76.45 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.85 -35.37 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.05 0.453 . . . . 0.0 110.141 175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.09 -38.68 87.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.305 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.73 8.44 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.87 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.7 mt -121.71 4.78 10.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.361 0.6 . . . . 0.0 109.386 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -85.56 -50.43 7.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.659 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtp -85.43 -24.9 27.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.41 -29.86 50.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.422 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.584 ' O ' ' HG2' ' B' ' 77' ' ' MET . 83.8 t80 -80.46 -39.71 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -66.07 -32.93 74.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.318 -178.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.5 p -75.45 -42.91 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.566 ' O ' HG13 ' B' ' 80' ' ' ILE . 4.7 p -64.58 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.8 mmt -68.25 -33.71 74.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.916 0.389 . . . . 0.0 110.249 175.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -43.56 68.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.061 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 76' ' ' SER . 11.0 pt-20 -67.37 -30.68 70.54 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.19 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 76' ' ' SER . 24.0 mt -70.65 -49.76 49.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.127 0.489 . . . . 0.0 110.179 174.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HD3' ' B' ' 93' ' ' LYS . . . -63.19 -55.42 25.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.985 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.5 71.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.977 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 43.1 m -67.08 -55.56 13.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.74 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.41 161.18 15.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.733 0.301 . . . . 0.0 111.436 -173.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.3 -168.45 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.34 -37.71 0.64 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.907 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.43 19.27 9.24 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.523 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -176.01 141.3 5.52 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -90.09 -172.53 3.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.18 -35.54 67.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.96 0.41 . . . . 0.0 111.109 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -72.71 -48.68 36.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.116 0.484 . . . . 0.0 110.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -48.28 82.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.205 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' B' ' 81' ' ' ALA . 18.8 ptpt -63.97 -25.24 68.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.249 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 95.6 m -78.04 -53.98 6.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 48.7 m -65.82 -31.24 72.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.455 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -57.47 -50.25 73.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.371 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 68.6 mt -65.47 -49.21 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.32 77.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.788 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -65.99 -43.6 87.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.87 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.606 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 19.5 mmt -60.61 -47.91 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -59.7 -34.2 72.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.038 0.447 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.5 t30 -65.13 -43.88 90.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.814 178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.58 80.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.501 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.617 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 34.9 m-85 -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 111.259 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.43 -24.24 60.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.341 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 67.3 mm-40 -80.61 -32.8 36.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -86.66 -74.36 0.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.084 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 35.3 p -89.87 -45.45 9.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.1 0.476 . . . . 0.0 111.246 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 110.19 14.53 13.11 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.617 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 11.1 p -144.39 147.65 19.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.5 127.22 60.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.074 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.2 102.24 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 35.7 tt0 -54.45 -54.54 47.37 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.462 -176.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 119' ' ' GLU . 12.2 Cg_endo -55.85 -37.37 95.9 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.015 1.81 . . . . 0.0 112.121 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.599 ' O ' HG12 ' B' ' 120' ' ' ILE . 41.8 t80 -58.59 -51.94 67.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.519 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.41 -38.61 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.045 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -68.32 -45.71 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.447 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 115' ' ' PRO . 53.9 mm-40 -61.22 -28.5 69.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.304 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.599 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.3 mm -60.9 -40.8 86.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.34 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 65.3 p -61.47 -37.38 83.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.345 0.593 . . . . 0.0 110.606 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -67.6 -38.76 84.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.525 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.19 -53.17 60.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.71 -38.42 78.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.171 0.51 . . . . 0.0 110.573 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 31.6 t -67.31 -45.2 77.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.508 -178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.2 ptm -69.49 -40.44 77.04 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -172.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -67.01 -20.5 65.88 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 -174.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.94 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.7 mp0 -84.58 -23.44 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.66 0.267 . . . . 0.0 111.299 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -48.4 77.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.016 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 65.91 28.42 73.64 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.342 173.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -79.52 10.26 4.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.439 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -103.89 -35.05 8.29 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.617 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -93.48 -41.54 9.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.675 -177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m 38.52 38.18 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 124.53 1.144 . . . . 0.0 113.601 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 34.7 p 51.63 31.16 7.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.615 0.766 . . . . 0.0 112.342 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.256 178.089 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -154.38 -30.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.867 0.333 . . . . 0.0 111.589 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.59 39.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.791 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -74.86 88.2 2.3 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 122.584 -0.362 . . . . 0.0 111.669 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m 49.75 40.69 20.79 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.817 0.698 . . . . 0.0 112.808 171.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -87.51 159.97 18.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 t -59.83 127.88 34.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.082 0.944 . . . . 0.0 111.058 -173.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.417 ' O ' HG22 ' A' ' 11' ' ' THR . 2.3 p -159.92 162.35 24.71 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 114.012 -1.449 . . . . 0.0 109.147 -174.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.71 -10.49 28.93 Favored 'Trans proline' 0 C--O 1.222 -0.317 0 C-N-CA 122.24 1.96 . . . . 0.0 112.058 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.2 p90 -124.33 17.65 9.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.462 HG23 HD22 ' A' ' 12' ' ' ASN . 8.8 t -73.58 -16.26 61.25 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.787 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.462 HD22 HG23 ' A' ' 11' ' ' THR . 11.6 p30 -156.99 152.33 21.87 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.09 -34.38 77.73 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.003 2.469 . . . . 0.0 112.692 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.12 -50.18 70.5 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.879 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.26 -34.04 72.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.65 -0.324 . . . . 0.0 110.879 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.97 83.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.992 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.52 -27.04 63.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.759 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -71.24 -22.4 61.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.021 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.04 -44.64 97.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.125 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -61.98 -45.97 91.29 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.864 0.364 . . . . 0.0 110.25 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -59.37 -49.84 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -66.26 -26.94 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.046 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -77.25 -51.48 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.02 -31.08 72.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.295 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -72.94 -22.4 60.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 0.0 110.47 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.93 -38.49 4.87 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.926 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.98 -31.28 72.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.278 . . . . 0.0 111.159 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 t -63.45 -16.65 61.22 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.244 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -99.95 9.95 42.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.043 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -93.38 147.71 34.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.097 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.71 -28.29 6.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.819 2.346 . . . . 0.0 113.206 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.37 -5.8 68.2 Favored Glycine 0 C--N 1.328 0.116 0 CA-C-N 116.088 -0.505 . . . . 0.0 114.189 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -124.69 153.27 42.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.207 0.527 . . . . 0.0 111.612 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 41.3 p -112.76 158.95 19.47 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.1 -178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.18 -27.51 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.564 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.2 p -65.62 -60.22 3.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' MET . 25.8 mm-40 -67.54 -26.04 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.739 -175.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 34' ' ' THR . 64.3 mt -61.78 -34.05 75.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.927 178.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.63 -36.22 70.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.714 0.292 . . . . 0.0 110.587 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.94 -48.74 80.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.278 0.561 . . . . 0.0 110.24 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.47 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 8.3 ptp -74.08 -32.66 63.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.63 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m -60.6 -35.3 75.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.029 0.443 . . . . 0.0 109.837 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -59.72 -41.08 90.07 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.763 176.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 HD11 ' A' ' 80' ' ' ILE . 47.7 mt -75.57 -37.49 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.647 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.06 72.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.546 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.45 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -68.59 -38.72 80.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.754 177.635 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 t -59.98 -40.21 88.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.526 ' HE2' ' N ' ' A' ' 73' ' ' PHE . 90.7 mmm -68.53 -44.62 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.401 -177.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.9 m -67.03 -37.25 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.047 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.91 -37.77 88.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.686 0.279 . . . . 0.0 110.7 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m -63.58 -39.74 95.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.783 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 48' ' ' MET . 69.9 mt -66.38 -47.1 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.275 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -59.77 -46.33 89.49 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.769 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 p -65.21 -43.83 90.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.112 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.4 -32.32 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.015 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.66 -38.58 77.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.95 86.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.392 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -75.17 -13.53 60.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.045 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.24 62.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.108 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -105.56 4.78 30.75 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.164 0.507 . . . . 0.0 110.598 -178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 p -85.69 124.31 32.07 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.895 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 65' ' ' LYS . 7.1 m -114.64 157.86 41.78 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.99 -35.18 59.89 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.468 2.112 . . . . 0.0 112.302 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -84.3 -26.74 28.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.776 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 0.0 OUTLIER -76.41 -29.81 57.21 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.896 0.379 . . . . 0.0 110.271 -177.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.85 -31.48 69.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.05 0.452 . . . . 0.0 110.253 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.546 HE22 ' HA ' ' B' ' 133' ' ' ASN . 8.1 tt0 -69.44 -42.54 74.84 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.385 172.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 69' ' ' LEU . . . -73.79 71.22 1.47 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.944 0.878 . . . . 0.0 110.23 176.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 6.5 mt 175.62 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.371 -1.741 . . . . 0.0 108.621 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.447 HD22 ' HA ' ' A' ' 70' ' ' ASN . 2.3 t-20 -63.18 -44.01 96.63 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 90.9 mmm -75.33 -32.21 60.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.857 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.345 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' N ' ' HE2' ' A' ' 48' ' ' MET . 57.9 t80 -63.47 -49.55 73.19 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.475 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.601 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -58.87 -39.62 81.9 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.635 -177.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -76.43 -32.46 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.578 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 4.5 t -67.7 -32.3 72.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.374 0.607 . . . . 0.0 110.163 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 41' ' ' MET . 12.0 mmt -75.32 -22.58 57.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.115 0.483 . . . . 0.0 109.864 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.05 21.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.707 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.578 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 16.4 pt-20 -61.43 -37.16 82.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.472 0.177 . . . . 0.0 110.727 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.568 HD11 HD12 ' A' ' 44' ' ' ILE . 16.1 mt -65.2 -55.27 21.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.876 0.369 . . . . 0.0 110.451 176.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.62 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.22 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.03 92.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.957 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.9 m -81.21 -45.09 16.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.803 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -127.12 150.93 49.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.386 0.612 . . . . 0.0 111.739 -176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.41 176.44 10.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.143 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.8 -8.17 3.16 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.446 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 159.28 40.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.06 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.58 123.97 1.91 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.006 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -66.52 169.78 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.69 -42.94 84.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 -176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -68.96 -37.88 79.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 m -66.04 -47.86 72.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.054 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -67.57 -38.25 83.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.072 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 m -65.71 -46.31 79.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.618 0.247 . . . . 0.0 110.877 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.1 t -60.95 -33.0 72.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.066 0.46 . . . . 0.0 110.459 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m -66.7 -49.05 67.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.905 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 64.4 mt -66.96 -46.24 85.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.186 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.09 86.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.725 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 t -69.22 -32.02 71.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.793 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -75.08 -23.52 58.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 111.043 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.0 mmt -72.67 -45.21 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 p -68.28 -33.75 74.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.8 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.59 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -76.28 -20.73 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.37 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.21 -38.22 72.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.803 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.12 -33.93 74.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.121 0.486 . . . . 0.0 110.902 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.16 -16.77 63.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.352 -177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 60.4 mm-40 -95.46 -28.88 14.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.938 0.399 . . . . 0.0 110.611 -178.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 p -89.05 -63.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.536 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.9 p -95.18 -43.49 8.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.971 0.415 . . . . 0.0 111.123 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.24 7.18 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.28 148.69 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.133 -0.533 . . . . 0.0 109.929 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.3 t -97.61 147.21 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 16.9 m120 -69.3 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.545 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 6.9 tp60 175.66 -59.08 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 O-C-N 123.439 0.462 . . . . 0.0 111.539 174.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 5.3 Cg_exo -73.87 -26.05 13.71 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.895 1.73 . . . . 0.0 112.61 -171.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 39.5 t80 -53.71 -48.49 69.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 -177.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mm -64.19 -36.02 75.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -73.02 -29.33 62.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.129 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.584 ' HA ' ' NE2' ' A' ' 122' ' ' GLN . 37.5 mm-40 -69.69 -35.42 75.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.959 0.409 . . . . 0.0 111.128 177.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.601 HD12 ' HB1' ' A' ' 74' ' ' ALA . 29.3 mm -65.77 -39.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.598 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 53.5 p -64.08 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.403 0.62 . . . . 0.0 110.597 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 119' ' ' GLU . 14.9 mt-30 -66.39 -42.51 87.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.707 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.5 -53.0 62.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.353 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 22.3 t -59.89 -40.17 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.786 -177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.7 m -69.88 -45.72 67.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.61 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 27.4 ptm -66.07 -43.79 86.39 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -65.35 -28.22 69.13 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.693 0.282 . . . . 0.0 111.133 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.03 78.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.93 0.395 . . . . 0.0 110.783 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -82.07 -35.43 28.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.43 -49.53 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.003 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 133' ' ' ASN . . . 60.33 36.66 91.53 Favored Glycine 0 C--N 1.331 0.295 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.011 174.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -81.85 27.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.52 ' HA ' ' NE2' ' B' ' 67' ' ' GLN . 0.2 OUTLIER -102.84 -42.15 5.94 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.25 -178.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.25 -53.61 7.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.175 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 36.0 m 37.76 38.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 124.487 1.117 . . . . 0.0 113.483 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 81.2 p 51.1 30.02 5.19 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.862 0.865 . . . . 0.0 112.501 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.042 0.449 . . . . 0.0 111.027 -179.878 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 N-CA-C 111.656 -0.577 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -156.28 113.38 3.18 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 122.854 0.461 . . . . 0.0 109.823 177.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.29 64.93 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.481 -174.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -82.93 -15.25 52.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.829 0.347 . . . . 0.0 110.552 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m 57.17 70.42 0.65 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.601 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -98.57 -169.84 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.2 111.91 0.78 Allowed 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -176.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.467 ' O ' HG22 ' B' ' 11' ' ' THR . 1.4 p -152.92 162.61 25.95 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.483 176.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -63.59 -18.14 63.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.281 1.988 . . . . 0.0 112.585 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -117.1 21.58 13.11 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.467 HG22 ' O ' ' B' ' 8' ' ' THR . 10.6 t -74.05 -29.14 61.75 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.41 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.426 HD22 HG23 ' B' ' 11' ' ' THR . 11.1 p30 -143.89 152.56 55.73 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.998 176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -53.8 -31.61 62.62 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.011 2.474 . . . . 0.0 112.786 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.65 -52.11 55.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.272 -0.49 . . . . 0.0 112.67 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.16 -32.29 64.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.711 -0.287 . . . . 0.0 110.688 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.57 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.74 -24.38 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.98 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.66 -27.17 66.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.58 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.828 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -63.03 -43.47 98.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.055 0.455 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -65.18 -44.51 88.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.894 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.405 ' HA ' ' CD ' ' B' ' 25' ' ' GLN . 22.7 m -68.01 -18.22 64.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.099 0.476 . . . . 0.0 111.139 -178.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' B' ' 27' ' ' LEU . 72.6 t80 -84.28 -55.64 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.416 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 96.1 mmm -63.57 -32.0 73.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.668 -176.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.405 ' CD ' ' HA ' ' B' ' 22' ' ' SER . 13.3 pt20 -64.4 -27.01 68.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.698 0.285 . . . . 0.0 110.837 -178.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.22 -32.52 6.68 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.647 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' B' ' 23' ' ' PHE . 28.4 tp -68.23 -29.19 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.367 . . . . 0.0 111.037 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -69.99 -5.96 30.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -115.65 9.34 15.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.085 0.469 . . . . 0.0 110.481 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.99 141.68 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -77.0 -14.4 16.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.84 2.36 . . . . 0.0 112.416 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.15 -19.4 63.82 Favored Glycine 0 C--N 1.32 -0.308 0 CA-C-N 115.245 -0.889 . . . . 0.0 113.795 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -126.64 171.22 11.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 111.841 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' B' ' 38' ' ' LEU . 23.9 p -114.77 163.48 15.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.318 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.32 75.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 111.551 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.4 p -65.98 -48.45 71.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.558 ' O ' ' HG2' ' B' ' 41' ' ' MET . 28.5 mm-40 -63.87 -36.94 85.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.223 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 34' ' ' THR . 89.5 mt -60.98 -35.98 78.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.68 -39.72 94.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.688 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.82 -38.45 58.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.877 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.558 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 7.2 ptp -74.71 -32.96 62.3 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.445 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -58.8 -40.19 83.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.202 0.525 . . . . 0.0 109.705 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -60.54 -35.12 75.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.543 HD12 HD11 ' B' ' 80' ' ' ILE . 48.6 mt -75.04 -43.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.477 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.96 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.798 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' B' ' 46' ' ' GLN . 0.0 OUTLIER -72.32 -36.66 68.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 178.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 -33.68 75.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.518 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.486 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.6 mmm -73.19 -31.25 64.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.535 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 22.8 m -83.0 -36.68 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.812 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.0 -40.34 96.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.233 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.5 p -64.29 -45.65 87.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -57.89 -45.61 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.558 0.218 . . . . 0.0 110.677 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.39 -42.93 96.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.734 0.302 . . . . 0.0 111.379 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' B' ' 58' ' ' GLN . 47.1 m -63.58 -42.14 98.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.952 0.406 . . . . 0.0 110.629 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.34 -34.43 78.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.52 92.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -32.63 73.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' B' ' 54' ' ' SER . 25.7 mt-30 -82.1 -7.75 59.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 23.7 77.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.257 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -102.77 13.32 34.7 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.519 0.676 . . . . 0.0 109.851 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 2.9 p -91.67 134.95 34.25 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.945 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.499 ' HB3' ' HD2' ' B' ' 63' ' ' PRO . 12.8 m -144.25 162.89 37.83 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 62' ' ' SER . 11.5 Cg_endo -51.05 -47.69 24.53 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.78 2.32 . . . . 0.0 112.083 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -82.09 -20.98 37.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.371 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.461 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 0.0 OUTLIER -76.6 -37.03 57.12 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 92.9 mt -68.75 -37.58 79.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.52 ' NE2' ' HA ' ' A' ' 133' ' ' ASN . 35.6 tt0 -58.8 -45.59 89.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.635 173.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' B' ' 69' ' ' LEU . . . -75.3 70.42 2.21 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 175.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 68' ' ' ALA . 9.9 mt 176.22 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.748 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -43.08 97.39 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.484 177.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 88.9 mmm -78.9 -32.96 45.97 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.879 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.34 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.222 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.486 ' N ' ' HE2' ' B' ' 48' ' ' MET . 49.1 t80 -65.02 -53.64 42.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.933 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -58.2 -36.91 73.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.473 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -77.67 -32.04 52.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' B' ' 79' ' ' GLU . 5.7 t -70.43 -33.06 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.478 0.656 . . . . 0.0 110.073 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.478 ' HA ' ' HE2' ' B' ' 77' ' ' MET . 17.0 mmt -73.9 -25.44 60.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.098 0.475 . . . . 0.0 109.819 176.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.54 -38.02 41.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.85 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' B' ' 76' ' ' SER . 15.2 pt-20 -65.14 -33.03 75.05 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.59 0.233 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.543 HD11 HD12 ' B' ' 44' ' ' ILE . 16.6 mt -72.72 -48.58 45.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.142 0.496 . . . . 0.0 110.156 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.53 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.554 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.81 -11.78 56.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.4 -175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -88.64 -69.79 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.039 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -112.52 170.87 7.87 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.415 0.626 . . . . 0.0 112.368 -174.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.523 ' HB3' ' NZ ' ' B' ' 93' ' ' LYS . 10.1 pt-20 -163.25 -160.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.272 176.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.73 -64.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.5 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.71 -20.32 60.04 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' B' ' 85' ' ' GLU . . . -132.27 156.89 22.24 Favored Glycine 0 N--CA 1.435 -1.382 0 CA-C-N 114.628 -0.786 . . . . 0.0 111.622 177.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -91.1 -176.63 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 0.8 OUTLIER -56.37 -45.81 80.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.072 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -66.98 -38.89 86.88 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.229 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.2 m -64.44 -50.3 68.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.37 -177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.523 ' NZ ' ' HB3' ' B' ' 85' ' ' GLU . 17.4 ptpt -62.48 -35.5 79.54 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.775 -177.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 38.1 m -64.28 -47.45 79.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 46.2 t -62.14 -38.2 88.06 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 60.9 m -60.57 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.123 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.91 -45.25 91.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.583 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.6 79.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.555 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 28.7 t -65.35 -39.59 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.87 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.119 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.4 mmt -62.16 -42.58 99.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.296 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -61.38 -36.68 80.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.562 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 6.3 t30 -72.54 -40.58 66.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.912 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.07 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.781 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.596 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 51.3 m-85 -66.96 -33.82 76.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.78 -23.29 60.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 28.3 mm-40 -77.91 -48.54 16.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.161 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -72.84 -73.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.346 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . 0.401 HG23 ' H ' ' B' ' 111' ' ' VAL . 2.8 t -92.65 -40.08 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.373 -175.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 108.68 15.87 12.72 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.878 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.2 p -149.35 151.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.404 HG12 ' H ' ' B' ' 114' ' ' GLN . 43.1 t -101.73 134.12 43.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' B' ' 114' ' ' GLN . 3.5 m-20 -61.76 -36.98 82.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.429 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' B' ' 115' ' ' PRO . 35.8 tt0 97.35 -73.39 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.106 1.363 . . . . 0.0 113.088 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' B' ' 114' ' ' GLN . 31.5 Cg_exo -59.9 -29.41 89.39 Favored 'Trans proline' 0 C--N 1.367 1.537 0 CA-C-N 121.986 1.745 . . . . 0.0 112.33 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.6 ' O ' HG12 ' B' ' 120' ' ' ILE . 44.5 t80 -52.79 -46.97 67.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.937 -178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 mm -66.54 -38.62 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -74.01 -20.53 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.449 -177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -79.48 -31.9 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.872 0.367 . . . . 0.0 110.275 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.6 HG12 ' O ' ' B' ' 116' ' ' PHE . 40.1 mm -66.54 -38.95 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 46.5 p -63.01 -26.49 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.334 0.588 . . . . 0.0 110.732 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -78.41 -41.49 32.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.248 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' B' ' 126' ' ' MET . 95.5 mt -56.68 -47.81 79.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.403 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.25 -30.69 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.955 0.407 . . . . 0.0 111.073 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -84.56 -35.88 22.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.558 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.562 ' HA ' ' NE2' ' B' ' 129' ' ' GLN . 25.5 ptm -65.28 -52.5 53.86 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.214 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -64.43 -20.29 66.06 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.88 0.372 . . . . 0.0 110.785 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.9 -20.31 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.29 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.562 ' NE2' ' HA ' ' B' ' 126' ' ' MET . 20.8 mt-30 -89.06 -34.63 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.979 0.418 . . . . 0.0 109.929 177.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -60.0 4.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.942 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 55.4 57.95 16.16 Favored Glycine 0 C--N 1.333 0.377 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.862 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 17.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.401 0.619 . . . . 0.0 110.832 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.546 ' HA ' HE22 ' A' ' 67' ' ' GLN . 0.3 OUTLIER -86.69 -35.68 19.15 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.347 177.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -74.47 -28.41 61.01 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.223 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 m 44.78 24.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 114.571 -1.195 . . . . 0.0 113.424 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m 57.56 20.64 6.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.077 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.668 -178.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -108.42 -159.49 0.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.37 131.24 2.38 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.004 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -120.17 96.56 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.149 0.5 . . . . 0.0 110.731 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -104.22 111.27 23.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.535 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 m170 -87.06 155.1 20.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -73.09 138.76 46.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -177.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.457 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 2.3 p -153.75 158.88 32.58 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.079 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 36.5 Cg_exo -62.39 -15.19 43.55 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.307 2.004 . . . . 0.0 112.455 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -122.3 20.43 10.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.573 -175.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.457 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 12.5 t -75.88 -17.37 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.628 -176.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.423 HD22 HG23 ' A' ' 11' ' ' THR . 11.4 p30 -151.96 154.88 33.22 Favored Pre-proline 0 C--O 1.236 0.374 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -80.48 18.29 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.332 2.688 . . . . 0.0 113.077 -174.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.19 -0.31 10.52 Favored Glycine 0 CA--C 1.503 -0.681 0 N-CA-C 110.043 -1.223 . . . . 0.0 110.043 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -124.57 -31.94 3.18 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.648 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -59.93 -33.24 71.62 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.93 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.13 -18.86 62.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.232 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -77.42 -22.11 52.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.635 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.55 -57.31 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -175.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.702 0.287 . . . . 0.0 111.121 -176.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -68.43 -49.19 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.491 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 42.7 m -64.37 -19.38 65.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.626 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 38.4 t80 -76.28 -63.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.243 178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 10.4 ptm -80.26 -15.02 57.9 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -168.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.491 ' CD ' ' HA ' ' A' ' 22' ' ' SER . 13.8 pt20 -60.42 -33.29 72.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.984 0.421 . . . . 0.0 110.086 175.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.97 -18.48 43.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.522 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD23 ' SD ' ' A' ' 41' ' ' MET . 31.9 tp -73.09 -28.12 62.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.937 0.398 . . . . 0.0 110.657 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -71.66 5.34 2.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.784 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 t -120.07 7.11 10.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.036 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' HD12 ' A' ' 27' ' ' LEU . 23.5 mmt -93.77 139.51 22.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.913 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.69 -18.85 32.35 Favored 'Trans proline' 0 N--CA 1.472 0.26 0 C-N-CA 123.014 2.476 . . . . 0.0 113.03 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.34 -41.19 96.8 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.659 -0.7 . . . . 0.0 113.671 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.66 163.38 12.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.95 0.405 . . . . 0.0 111.456 -175.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.489 ' OG1' ' HG2' ' A' ' 37' ' ' GLN . 71.5 p -110.58 166.15 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.975 176.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.26 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.93 0.395 . . . . 0.0 111.519 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.9 m -70.66 -33.56 71.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.297 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' OG1' ' A' ' 34' ' ' THR . 10.8 mm100 -89.3 6.43 40.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.531 -173.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 34' ' ' THR . 4.6 mm? -105.44 5.44 31.63 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.917 176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.57 -43.36 10.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.112 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.643 ' HA ' ' CD ' ' B' ' 65' ' ' LYS . 0.8 OUTLIER -67.7 -50.19 58.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.747 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.693 ' SD ' HD23 ' A' ' 27' ' ' LEU . 43.6 ttm -59.94 -39.68 86.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.214 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.569 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 23.6 p -66.08 -35.98 81.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.2 m -61.64 -36.6 81.24 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.497 HD13 ' OG ' ' A' ' 76' ' ' SER . 59.0 mt -74.15 -37.03 45.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.491 . . . . 0.0 110.821 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.16 81.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.424 HE22 HD21 ' B' ' 55' ' ' LEU . 0.9 OUTLIER -90.59 -9.84 45.57 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 44' ' ' ILE . 68.5 p -84.13 -39.65 19.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.105 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.48 ' O ' HG13 ' A' ' 52' ' ' ILE . 85.7 mmm -64.86 -33.21 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 m -70.93 -34.83 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.307 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.68 -36.29 83.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 m -59.84 -55.73 30.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.946 174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 48' ' ' MET . 68.2 mt -55.91 -52.57 47.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.926 -176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 53' ' ' GLN . 3.1 pt20 -65.19 -36.12 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.408 -175.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.1 m -71.65 -40.66 69.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 51' ' ' SER . 90.8 mt -62.84 -35.95 81.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.706 0.288 . . . . 0.0 110.361 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' HA ' ' OG1' ' A' ' 61' ' ' THR . . . -65.76 -48.04 73.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.743 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.08 -36.13 82.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 24.1 mt-30 -88.4 0.88 55.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.603 -177.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.78 41.79 55.25 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 114.525 0.57 . . . . 0.0 114.525 170.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.494 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -129.25 18.61 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.35 0.575 . . . . 0.0 111.037 176.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -88.69 139.56 30.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.943 0.401 . . . . 0.0 111.765 178.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.498 ' OG ' ' HE2' ' A' ' 65' ' ' LYS . 36.3 p -150.82 152.04 31.23 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.47 -38.1 43.24 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 123.327 2.684 . . . . 0.0 113.592 -176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -73.21 -40.4 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HE2' ' OG ' ' A' ' 62' ' ' SER . 53.4 mtmt -78.52 -24.17 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 111.063 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.42 -33.58 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.497 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 8.2 tt0 -69.26 -39.86 78.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.231 176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.628 ' HA ' ' OE2' ' B' ' 79' ' ' GLU . . . -57.28 -36.01 70.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.379 0.609 . . . . 0.0 110.647 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.6 mt -74.8 -1.66 23.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -86.4 -50.46 6.88 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.561 ' HB2' ' OE2' ' B' ' 79' ' ' GLU . 86.6 mmm -70.55 -37.4 74.02 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.82 -40.11 69.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.994 0.426 . . . . 0.0 110.268 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 77' ' ' MET . 82.5 t80 -71.8 -47.24 54.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.298 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.56 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.416 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.5 t -74.66 -34.87 62.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.943 0.402 . . . . 0.0 110.247 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.544 ' HA ' ' OE2' ' A' ' 79' ' ' GLU . 12.3 t -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.724 0.774 . . . . 0.0 110.048 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' ' HG3' ' A' ' 41' ' ' MET . 20.7 mmt -73.99 -30.36 62.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.947 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.79 68.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.802 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.544 ' OE2' ' HA ' ' A' ' 76' ' ' SER . 14.1 pt-20 -64.0 -37.63 88.14 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.628 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 44' ' ' ILE . 11.3 mt -65.27 -52.4 52.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.432 176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.39 77.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.539 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.77 82.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.325 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -66.78 -60.89 2.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.899 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.99 159.73 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.357 0.598 . . . . 0.0 112.1 -171.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -160.05 -164.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.695 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -34.2 0.74 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.089 -1.053 . . . . 0.0 112.996 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.76 -41.27 5.71 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.53 167.33 23.57 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.724 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.3 m -81.5 -177.69 6.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.469 0.176 . . . . 0.0 110.555 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.556 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 65.6 tp -50.97 -40.69 58.39 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.115 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -45.06 93.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.419 0.628 . . . . 0.0 110.454 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -68.95 -51.23 41.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.628 -174.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 60.6 pttt -66.7 -31.31 71.88 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.757 0.313 . . . . 0.0 111.404 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -72.16 -43.6 64.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.368 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.4 t -65.44 -34.24 77.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.524 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.9 m -57.71 -44.17 85.73 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.626 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.2 mt -66.19 -50.48 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.53 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.525 -177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.8 t -65.25 -44.28 88.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.65 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.387 -177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.2 mmt -61.45 -42.82 99.36 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.475 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.517 ' HA ' HG21 ' A' ' 112' ' ' VAL . 22.9 m -63.52 -34.22 77.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.319 0.581 . . . . 0.0 110.07 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.579 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.7 t30 -67.83 -44.67 76.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.807 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.24 -44.36 68.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.527 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 34.8 m-85 -66.09 -37.08 84.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 111.386 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 102' ' ' SER . 98.2 mt -70.01 -22.94 63.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.741 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.6 mm-40 -82.76 -37.89 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.868 179.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -62.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.792 -176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.9 p -101.06 -44.56 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.781 0.325 . . . . 0.0 111.597 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 115.98 4.11 19.08 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.3 p -142.27 147.41 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.517 HG21 ' HA ' ' A' ' 102' ' ' SER . 2.6 p -121.37 133.48 67.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.902 0.382 . . . . 0.0 111.35 -175.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -73.27 117.55 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.855 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.44 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 59.4 tt0 -65.1 -55.59 25.72 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -172.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 11.3 Cg_endo -56.01 -34.54 92.6 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.178 1.918 . . . . 0.0 112.731 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.492 ' O ' HG12 ' A' ' 120' ' ' ILE . 63.4 t80 -53.5 -48.77 68.68 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.769 176.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.28 -32.22 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.926 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.474 HD22 ' N ' ' A' ' 118' ' ' ASN . 0.9 OUTLIER -70.81 -45.63 64.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -178.027 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.61 -35.26 75.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.749 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 116' ' ' PHE . 45.3 mm -59.12 -37.66 69.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.599 -177.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.6 p -65.64 -23.32 66.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 111.318 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.7 -35.56 62.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.425 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.74 -48.14 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.105 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.67 -33.0 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.146 0.498 . . . . 0.0 110.79 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.8 t -71.86 -44.76 63.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.248 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.4 ptm -70.1 -40.28 75.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -66.6 -20.7 66.07 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.466 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -82.1 -22.28 36.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.993 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' B' ' 119' ' ' GLU . . . -62.15 -53.03 61.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.175 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 57.79 29.62 61.83 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.397 -0.819 . . . . 0.0 113.87 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -78.93 6.04 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.874 0.845 . . . . 0.0 110.755 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.22 -30.23 11.23 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.739 177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -89.18 -45.37 9.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.215 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m 39.36 38.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 124.501 1.126 . . . . 0.0 113.188 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.1 p 49.73 31.9 4.78 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.008 0.923 . . . . 0.0 112.595 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.764 179.278 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -102.35 26.85 7.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.137 0.494 . . . . 0.0 110.2 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.49 31.22 6.53 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -133.68 49.51 2.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 0.0 110.325 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -91.81 159.01 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.653 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -112.48 163.96 13.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.923 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -94.38 145.26 24.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 111.302 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.517 ' O ' HG22 ' B' ' 11' ' ' THR . 7.9 p -147.79 157.77 43.51 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.142 178.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.22 -6.25 14.32 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.294 1.996 . . . . 0.0 112.667 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 17.5 p90 -128.77 12.62 6.3 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -176.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.517 HG22 ' O ' ' B' ' 8' ' ' THR . 9.3 t -77.15 -16.07 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.575 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.445 HD22 HG23 ' B' ' 11' ' ' THR . 10.2 p30 -149.58 150.66 31.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.616 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 17' ' ' GLU . 51.5 Cg_exo -55.78 -33.57 88.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.921 2.414 . . . . 0.0 112.671 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.79 -54.65 35.65 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.887 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.78 -34.8 78.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.547 -0.384 . . . . 0.0 110.773 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.93 75.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 13' ' ' PRO . 11.1 pt-20 -71.88 -40.15 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.706 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.25 -32.88 74.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.478 0.18 . . . . 0.0 111.141 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.425 ' SD ' ' HB2' ' B' ' 48' ' ' MET . 21.6 ptp -78.64 -26.53 45.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.327 -175.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -66.03 -48.36 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.183 0.516 . . . . 0.0 110.191 174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' B' ' 25' ' ' GLN . 15.7 m -74.34 -10.74 59.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.979 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -73.58 -53.46 10.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.339 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . 0.422 ' SD ' ' HA ' ' B' ' 42' ' ' SER . 25.7 mtp -71.65 -23.3 61.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.857 -175.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 22' ' ' SER . 8.2 pt20 -62.06 -33.4 74.33 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.6 -26.12 21.18 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.518 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -68.04 -33.85 75.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.372 . . . . 0.0 110.33 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -67.0 -6.58 17.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.3 t -111.26 11.29 21.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.977 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.0 mmt -101.15 135.22 19.96 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.15 -22.18 35.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 123.279 2.653 . . . . 0.0 113.561 -175.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.47 -21.34 77.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.065 -0.588 . . . . 0.0 113.772 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -105.9 159.52 15.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.315 0.579 . . . . 0.0 112.121 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 60.7 p -117.32 167.14 11.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.834 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.06 69.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -61.01 -49.41 77.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.465 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' B' ' 41' ' ' MET . 10.6 mm100 -70.4 -30.81 67.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.173 0.511 . . . . 0.0 110.85 -177.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.54 11.23 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.983 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.15 -42.13 4.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.816 172.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -80.56 -54.5 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.052 -175.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 37' ' ' GLN . 12.4 ptm -67.77 -24.39 65.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -174.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.422 ' HA ' ' SD ' ' B' ' 24' ' ' MET . 12.9 m -65.11 -22.75 66.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 52.4 m -71.67 -37.03 70.83 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.688 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.546 HD12 HD11 ' B' ' 80' ' ' ILE . 36.8 mt -77.06 -32.68 19.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.7 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.975 0.417 . . . . 0.0 110.777 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' B' ' 49' ' ' VAL . 2.7 pt20 -77.98 -22.63 49.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.036 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' A' ' 51' ' ' SER . 28.0 t -64.14 -43.65 94.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' ILE . 72.6 mmm -64.85 -45.97 83.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.716 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' B' ' 46' ' ' GLN . 5.2 m -64.35 -40.35 88.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -67.73 -29.28 68.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.83 0.348 . . . . 0.0 110.74 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 22.2 m -75.58 -45.79 35.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.495 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 48' ' ' MET . 82.1 mt -61.19 -50.14 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.297 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 3.7 pt20 -61.71 -38.13 86.74 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.623 0.249 . . . . 0.0 111.253 -177.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 56.6 m -66.9 -37.45 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 51' ' ' SER . 67.5 mt -66.77 -36.58 82.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.52 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.73 87.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.796 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.12 74.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.158 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -87.28 2.43 50.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.358 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.19 42.64 99.35 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.912 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -104.21 -6.86 20.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.947 0.403 . . . . 0.0 109.978 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 18.6 p -87.46 166.25 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.585 -171.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.524 ' HB2' ' HD2' ' B' ' 63' ' ' PRO . 81.5 p -169.01 162.22 7.86 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.524 ' HD2' ' HB2' ' B' ' 62' ' ' SER . 13.6 Cg_endo -51.51 -40.7 62.88 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.204 2.603 . . . . 0.0 112.936 -177.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -87.92 -21.31 25.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.099 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.643 ' CD ' ' HA ' ' A' ' 40' ' ' ASP . 51.8 mtmt -92.02 -15.88 27.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.323 -178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -77.31 -35.18 55.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.827 0.346 . . . . 0.0 110.787 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.74 -34.05 77.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.477 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -68.49 -8.44 41.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.024 0.44 . . . . 0.0 111.739 -176.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -102.02 12.92 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.033 0.444 . . . . 0.0 110.584 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.403 ' N ' HD22 ' B' ' 70' ' ' ASN . 0.9 OUTLIER -92.18 -54.2 3.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 175.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . 0.528 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . 94.8 mmm -69.41 -36.68 76.96 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.949 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.06 -44.7 42.01 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.427 0.454 . . . . 0.0 110.765 174.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -69.13 -51.92 33.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.553 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.01 72.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.635 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 31.5 t -75.79 -38.82 57.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' B' ' 79' ' ' GLU . 12.2 t -68.12 -31.26 70.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.218 0.532 . . . . 0.0 110.163 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 30.5 mmt -66.67 -39.91 88.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.289 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.34 86.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.992 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.628 ' OE2' ' HA ' ' A' ' 68' ' ' ALA . 31.2 tt0 -53.99 -59.49 4.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.855 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.546 HD11 HD12 ' B' ' 44' ' ' ILE . 16.9 mt -59.39 -42.42 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.141 0.496 . . . . 0.0 111.11 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 -39.54 92.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.426 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' B' ' 90' ' ' LEU . . . -81.32 -23.59 37.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.425 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.15 -44.26 96.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.848 0.356 . . . . 0.0 111.647 -177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.39 159.54 35.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -94.96 -153.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.979 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.65 -155.08 6.53 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.219 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.08 -12.21 71.41 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.79 -112.51 3.71 Favored Glycine 0 N--CA 1.438 -1.222 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.681 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 50.3 m -131.51 150.78 52.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.596 0.236 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' B' ' 82' ' ' ALA . 58.5 tp -58.66 -42.29 88.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -63.62 -22.68 67.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.459 -178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 20.3 m -70.47 -28.67 65.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.18 -36.24 81.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -55.73 -49.58 72.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.046 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 35.6 t -68.44 -36.13 78.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.53 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 52.0 m -59.98 -50.03 75.33 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.044 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 63.4 mt -64.63 -48.4 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -44.36 78.25 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.139 0.495 . . . . 0.0 111.146 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 58.6 m -62.89 -49.17 75.88 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.282 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.49 65.5 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.804 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.9 mmt -64.01 -45.03 90.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.16 0.505 . . . . 0.0 109.791 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 21.7 m -61.1 -38.61 86.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.987 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 1.3 t30 -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.773 176.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.05 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.464 -178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 40.3 m-85 -64.67 -37.09 86.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.031 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -22.57 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 70.2 mm-40 -83.87 -18.76 36.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -107.99 -70.92 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -88.42 -47.77 8.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.264 -177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.07 10.59 17.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.452 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 9.9 p -143.77 146.39 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.06 124.48 59.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.944 0.402 . . . . 0.0 111.245 -175.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -85.07 97.98 10.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.37 -42.74 97.52 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.69 -38.24 36.54 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.942 1.761 . . . . 0.0 112.506 174.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.581 ' O ' HG12 ' B' ' 120' ' ' ILE . 45.2 t80 -66.45 -53.39 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.044 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.02 -42.0 84.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.473 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -62.95 -39.99 96.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.559 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 17.6 mm-40 -73.4 -28.1 61.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.605 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.581 HG12 ' O ' ' B' ' 116' ' ' PHE . 48.4 mm -61.79 -38.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 75.2 p -60.25 -41.62 93.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.12 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.35 -35.9 81.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.517 ' O ' ' HG2' ' B' ' 126' ' ' MET . 93.9 mt -57.85 -46.45 84.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 0.0 110.829 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.96 -42.54 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.025 0.44 . . . . 0.0 110.474 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 15.9 p -87.57 14.0 9.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 123' ' ' LEU . 28.1 ptm -116.48 -39.62 3.33 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.223 176.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -68.0 -23.55 65.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 111.088 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.13 -49.27 76.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.406 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' B' ' 129' ' ' GLN . 1.1 mp0 -75.08 -24.76 58.21 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.206 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.88 -50.29 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.069 0.461 . . . . 0.0 109.938 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 74.07 2.1 61.28 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.533 -0.758 . . . . 0.0 113.894 171.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -72.6 -2.41 19.83 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.357 0.579 . . . . 0.0 111.864 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.69 HD22 ' N ' ' B' ' 134' ' ' ASP . 0.4 OUTLIER -106.3 -22.72 12.75 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.992 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.69 ' N ' HD22 ' B' ' 133' ' ' ASN . 22.0 t70 -101.56 -43.78 5.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.242 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m 41.91 30.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 124.633 1.208 . . . . 0.0 113.758 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 11.7 p 40.88 63.56 1.15 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.573 0.749 . . . . 0.0 112.392 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.301 176.565 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p -87.01 31.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.697 -176.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.77 72.96 2.74 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.632 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -87.55 -79.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -69.56 109.98 4.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.262 0.553 . . . . 0.0 112.105 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -139.04 172.16 13.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.182 175.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.8 t -66.02 142.43 57.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.483 0.659 . . . . 0.0 111.45 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.558 ' OG1' ' HB ' ' A' ' 11' ' ' THR . 1.0 OUTLIER -144.6 155.1 56.84 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.386 178.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 22.7 Cg_exo -65.83 -7.06 15.54 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.397 2.065 . . . . 0.0 112.587 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 19.6 p90 -134.47 24.3 3.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.594 -177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.582 HG23 ' OD1' ' A' ' 12' ' ' ASN . 7.4 t -71.9 -38.08 70.0 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.617 0.246 . . . . 0.0 111.585 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.582 ' OD1' HG23 ' A' ' 11' ' ' THR . 2.1 p-10 -157.14 161.49 29.34 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 12' ' ' ASN . 51.3 Cg_endo -68.15 37.99 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.375 2.717 . . . . 0.0 113.452 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.02 2.19 6.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 175.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.74 -34.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.865 -0.667 . . . . 0.0 110.298 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' PRO . . . -57.0 -37.31 71.48 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.069 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -23.65 22.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.336 0.589 . . . . 0.0 110.956 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -67.6 -22.49 65.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.306 175.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.41 -51.0 71.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.549 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' MET . 2.0 mpt? -60.94 -46.16 91.79 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.846 0.355 . . . . 0.0 110.448 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 41.7 m-80 -57.57 -48.51 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.09 -179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.56 -44.91 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 84.2 t80 -58.88 -48.96 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.267 -178.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 20' ' ' MET . 75.8 mmm -60.01 -37.89 81.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' ASN . 93.1 mt-30 -66.27 -42.48 88.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.012 0.434 . . . . 0.0 110.382 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.9 -43.52 73.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.294 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 tp -68.92 -29.45 67.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.673 0.273 . . . . 0.0 111.317 -177.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -69.02 -6.48 28.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.756 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.2 t -110.83 13.97 22.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.885 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.5 mmt -100.45 146.1 31.43 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -78.14 -20.15 11.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.23 2.62 . . . . 0.0 113.467 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.41 -3.49 88.7 Favored Glycine 0 C--N 1.319 -0.366 0 C-N-CA 121.039 -0.601 . . . . 0.0 114.53 -171.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 27' ' ' LEU . 33.0 m-85 -119.4 168.58 10.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.772 0.786 . . . . 0.0 112.725 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 38' ' ' LEU . 80.9 p -110.77 -174.26 2.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.418 -177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.36 -18.2 34.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.3 p -88.16 -48.73 7.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.552 -176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.7 mp0 -57.26 -34.95 69.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.097 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 34' ' ' THR . 2.0 mm? -62.16 -32.5 73.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.237 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.71 -46.04 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.521 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -56.35 -50.12 72.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' GLN . 7.5 ptp -73.98 -35.89 64.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.378 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 t -60.64 -36.18 78.0 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.358 0.599 . . . . 0.0 109.472 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 m -65.16 -47.11 78.17 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.632 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.52 HD12 HD11 ' A' ' 80' ' ' ILE . 50.3 mt -62.81 -38.21 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.848 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.13 -60.43 2.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.67 177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -60.12 -39.1 85.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.921 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.451 ' HB3' ' OG ' ' B' ' 51' ' ' SER . 22.5 m -59.46 -41.69 90.3 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.945 0.402 . . . . 0.0 110.721 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' HG13 ' A' ' 52' ' ' ILE . 71.5 mmm -72.78 -45.8 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.758 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.98 -51.25 55.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.555 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.66 -40.94 96.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.67 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 62.3 m -61.54 -42.15 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.503 0.192 . . . . 0.0 110.791 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 48' ' ' MET . 63.0 mt -57.05 -48.55 81.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.964 0.412 . . . . 0.0 110.867 176.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -68.79 -29.04 67.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m -71.17 -33.31 69.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.337 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 51' ' ' SER . 73.7 mt -68.13 -33.55 74.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.107 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.54 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.035 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.26 -21.44 62.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 48.7 mt-30 -100.76 -13.91 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.62 36.88 11.2 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.876 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HG3' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -115.46 11.92 16.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.526 176.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.75 126.88 31.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.323 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 m -152.77 154.23 31.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' A' ' 10' ' ' TRP . 6.8 Cg_endo -49.7 -54.29 5.69 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.107 2.538 . . . . 0.0 112.935 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.42 -39.14 92.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.556 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -63.13 -45.35 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.264 0.554 . . . . 0.0 110.445 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.05 -35.51 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.14 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' B' ' 133' ' ' ASN . 7.9 tt0 -58.61 -42.12 87.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.95 86.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.998 0.428 . . . . 0.0 110.393 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 mt -68.55 -32.42 72.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -48.14 82.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.73 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.931 175.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' B' ' 76' ' ' SER . . . -51.65 -39.83 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 111.742 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -70.3 -45.17 66.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 120' ' ' ILE . . . -62.39 -37.83 87.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.242 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -71.52 -39.72 70.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.348 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' B' ' 72' ' ' ALA . 5.5 p -69.71 -30.5 68.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.441 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.655 ' HG2' ' O ' ' A' ' 73' ' ' PHE . 28.5 mmt -64.64 -40.67 95.85 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -44.65 94.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.204 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' B' ' 68' ' ' ALA . 72.1 tt0 -55.02 -56.91 14.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.067 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.52 HD11 HD12 ' A' ' 44' ' ' ILE . 40.1 mt -56.11 -45.94 80.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.95 -49.84 70.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.202 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.304 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 t -68.4 -79.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.37 163.83 12.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.19 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -161.32 165.8 28.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.053 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.03 -86.66 0.1 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.833 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.36 17.09 59.04 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.69 118.96 2.74 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 10.3 m -72.75 173.0 9.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 5.7 tt -50.72 -46.99 59.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.809 0.338 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 p -62.85 -43.93 97.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.064 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 m -64.12 -52.31 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.427 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 90' ' ' LEU . 56.5 pttt -67.69 -32.29 72.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 65.3 m -68.22 -46.38 70.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 0.0 110.701 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.1 m -65.81 -32.14 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.8 m -61.08 -43.44 98.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.765 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.7 mt -66.2 -45.36 90.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.607 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.0 78.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -74.83 -26.48 59.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.215 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.571 ' HA ' ' OD1' ' A' ' 103' ' ' ASN . . . -79.06 -23.45 44.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.055 0.455 . . . . 0.0 110.806 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.453 ' O ' ' HD1' ' A' ' 105' ' ' PHE . 24.4 mmt -75.15 -47.65 27.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.283 176.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 p -63.83 -38.31 90.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.626 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.571 ' OD1' ' HA ' ' A' ' 100' ' ' ALA . 0.8 OUTLIER -76.7 -21.8 54.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.397 -178.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.45 -38.32 68.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.994 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 27.6 m-85 -59.9 -38.72 83.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 110.856 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.38 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.144 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.4 mm-40 -84.63 -43.33 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.862 -178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -78.94 -61.43 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.919 0.39 . . . . 0.0 111.744 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.3 p -95.5 -45.99 6.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.981 0.419 . . . . 0.0 111.114 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.61 1.69 27.49 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 12.4 p -138.84 148.32 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.1 125.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.097 0.475 . . . . 0.0 110.91 -177.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.42 108.72 15.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.592 176.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.423 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.3 tt0 -61.65 -41.24 76.94 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 87.8 Cg_exo -44.05 -41.66 12.59 Favored 'Trans proline' 0 C--N 1.364 1.359 0 C-N-CA 122.471 2.114 . . . . 0.0 113.011 174.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 120' ' ' ILE . 87.6 t80 -63.65 -46.29 86.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.46 -33.47 61.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.832 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.63 -27.93 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.766 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -86.19 -30.89 22.09 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.382 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 116' ' ' PHE . 42.0 mm -59.13 -39.38 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.226 -178.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.4 p -63.99 -34.43 77.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.492 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -72.65 -27.77 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.958 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.72 -50.61 70.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.529 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 4.3 t -62.03 -35.77 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.41 0.624 . . . . 0.0 110.021 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -69.56 -45.62 68.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.518 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 28.0 ptm -67.96 -38.62 83.0 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.28 -19.27 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.648 0.261 . . . . 0.0 111.377 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.85 94.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.275 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 129' ' ' GLN . 1.8 mp0 -78.51 -26.55 45.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.724 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.68 -58.19 7.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.486 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 64.29 25.96 70.2 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 113.085 177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -78.71 7.55 6.77 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.669 0.747 . . . . 0.0 111.072 -178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.419 ' HA ' ' OE1' ' B' ' 67' ' ' GLN . 0.3 OUTLIER -97.58 -33.33 11.38 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.89 177.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.29 -46.37 11.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.915 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.9 m 37.83 36.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 O-C-N 124.478 1.111 . . . . 0.0 113.836 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 24.7 t 60.41 25.72 15.28 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.636 177.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.711 179.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -150.8 130.51 13.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.555 0.217 . . . . 0.0 110.577 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.34 127.84 3.02 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.138 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -61.4 -49.25 77.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 0.0 110.592 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -143.36 139.15 29.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.92 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -64.84 -54.74 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -171.96 150.45 2.57 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.131 176.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 p -147.62 146.63 25.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.827 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.22 -25.11 57.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.122 1.881 . . . . 0.0 111.912 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 16' ' ' ALA . 15.3 p90 -97.1 17.51 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.544 -176.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.41 HG23 HD22 ' B' ' 12' ' ' ASN . 14.9 t -72.41 -16.7 61.84 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.41 HD22 HG23 ' B' ' 11' ' ' THR . 11.0 p30 -151.84 148.6 21.99 Favored Pre-proline 0 C--O 1.236 0.356 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.62 48.67 2.21 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.403 2.735 . . . . 0.0 112.878 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.54 -41.2 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.0 tp -76.21 -37.71 57.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.683 174.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' B' ' 10' ' ' TRP . . . -53.88 -41.6 67.72 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -174.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -13.47 61.66 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -72.04 -22.18 61.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.8 0.333 . . . . 0.0 110.416 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -63.36 -50.07 71.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.545 -178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' B' ' 20' ' ' MET . 1.9 mpt? -58.83 -45.45 89.98 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.531 ' O ' ' HG3' ' B' ' 25' ' ' GLN . 52.8 m-80 -61.61 -50.97 70.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -62.08 -38.95 90.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.931 -178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -61.66 -49.81 75.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 79.9 mmm -61.1 -35.38 76.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' B' ' 21' ' ' ASN . 97.7 mt-30 -63.71 -46.81 83.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.938 0.399 . . . . 0.0 110.478 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.12 -39.17 63.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' B' ' 33' ' ' PHE . 28.9 tp -66.94 -31.32 71.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.804 0.335 . . . . 0.0 111.249 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.7 t -73.05 -5.17 37.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 110.826 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -105.79 14.87 27.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.323 0.582 . . . . 0.0 109.685 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 26.2 mmt -102.73 144.33 28.4 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.743 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -23.49 24.23 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.013 2.475 . . . . 0.0 112.889 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . 0.487 ' HA2' ' HA3' ' B' ' 88' ' ' GLY . . . -66.43 -32.23 81.18 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.374 -176.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' B' ' 27' ' ' LEU . 74.8 m-85 -107.9 138.03 44.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.895 0.379 . . . . 0.0 111.497 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.54 HG23 ' HA3' ' B' ' 86' ' ' GLY . 6.5 p -87.77 159.15 18.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.854 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -12.75 14.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -174.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.8 p -105.47 -16.37 14.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.43 0.633 . . . . 0.0 109.814 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.414 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 24.0 tp60 -77.83 -29.17 50.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.084 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.77 -23.74 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.711 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.08 -39.19 88.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.25 -176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -72.39 -37.32 68.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.336 -174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.448 ' HB2' ' CE ' ' B' ' 77' ' ' MET . 6.7 ptm -87.7 -21.44 25.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.737 -178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 25.4 t -65.38 -28.89 69.59 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.0 m -59.05 -45.25 91.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.427 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mt -71.94 -33.26 47.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.684 -177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.28 -55.93 15.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.36 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -63.6 -34.36 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.194 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 36.7 m -61.62 -42.56 99.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.882 0.372 . . . . 0.0 110.635 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.471 ' HE2' ' N ' ' B' ' 73' ' ' PHE . 96.3 mmm -73.56 -38.25 65.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.633 ' O ' ' HG2' ' B' ' 53' ' ' GLN . 38.3 t -59.06 -57.09 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.772 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -61.99 -30.92 71.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.465 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 47' ' ' SER . 32.2 t -60.15 -45.38 93.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.048 0.451 . . . . 0.0 110.176 175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.89 -43.03 98.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.641 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' B' ' 49' ' ' VAL . 4.5 mm100 -62.29 -39.13 91.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.618 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.1 m -66.94 -36.73 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.963 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.14 -36.21 79.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.976 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.27 -40.78 81.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.83 -34.54 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.44 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.03 -14.96 55.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.703 0.287 . . . . 0.0 111.303 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.16 49.45 5.27 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.617 175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 73.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 175.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 7.6 p -116.03 131.75 56.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' B' ' 65' ' ' LYS . 11.5 m -154.83 154.99 29.92 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.73 -45.77 34.36 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.83 2.353 . . . . 0.0 111.972 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -81.0 0.95 33.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.349 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' B' ' 62' ' ' SER . 7.0 tppt? -98.7 -40.17 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.47 -25.76 45.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.053 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 133' ' ' ASN . 8.3 tt0 -58.07 -44.6 87.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.403 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . . . -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.807 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 mt -78.27 -3.43 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' B' ' 10' ' ' TRP . 1.0 OUTLIER -90.91 -48.93 6.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 90.4 mmm -66.29 -40.76 90.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 76' ' ' SER . . . -56.07 -43.72 78.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.784 0.326 . . . . 0.0 110.659 177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.471 ' N ' ' HE2' ' B' ' 48' ' ' MET . 58.8 t80 -64.56 -46.89 80.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.287 178.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.594 ' HB1' HD12 ' B' ' 120' ' ' ILE . . . -61.37 -35.7 78.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -69.87 -41.63 74.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.235 177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.686 ' HB3' ' HB2' ' A' ' 72' ' ' ALA . 74.6 p -73.54 -3.8 30.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.613 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 73' ' ' PHE . 27.7 mmt -103.03 -6.84 21.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.89 -52.02 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.795 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' B' ' 76' ' ' SER . 0.0 OUTLIER -70.82 -32.28 69.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.96 -175.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mt -58.36 -47.46 87.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' B' ' 97' ' ' ILE . . . -75.34 -38.61 60.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.391 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.61 -48.82 63.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.332 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -79.22 -62.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -79.14 148.82 32.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.004 0.43 . . . . 0.0 111.726 -171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -158.96 157.86 32.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.057 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . 0.54 ' HA3' HG23 ' B' ' 34' ' ' THR . . . -127.17 -87.94 0.62 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.509 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.85 -19.27 44.24 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.338 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . 0.487 ' HA3' ' HA2' ' B' ' 32' ' ' GLY . . . -108.57 151.1 17.08 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.2 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 93' ' ' LYS . 16.2 m -92.64 -172.88 3.18 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.477 ' HA ' ' HE2' ' B' ' 93' ' ' LYS . 54.9 tp -57.64 -35.76 70.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.781 0.325 . . . . 0.0 110.99 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 12.5 p -80.4 -2.8 47.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -107.42 -53.31 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.113 0.482 . . . . 0.0 110.97 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' B' ' 90' ' ' LEU . 50.5 pttt -65.48 -30.67 71.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.753 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' THR . . . . . . . . . . . . . 35.8 m -64.94 -45.32 86.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 110.776 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -67.47 -30.73 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 0.0 110.284 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 49.3 m -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.597 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.518 HD11 ' CB ' ' B' ' 81' ' ' ALA . 62.8 mt -65.91 -43.01 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.66 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.67 -48.46 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.338 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' SER . . . . . . . . . . . . . 34.4 t -67.79 -42.57 81.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . 0.532 ' HA ' ' OD1' ' B' ' 103' ' ' ASN . . . -63.47 -33.74 76.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.025 0.44 . . . . 0.0 111.164 -179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.1 mmt -67.86 -46.43 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.998 0.427 . . . . 0.0 110.436 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 10.4 p -67.33 -32.53 73.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.046 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' B' ' 107' ' ' GLN . 0.9 OUTLIER -81.17 -23.21 38.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.301 -178.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.09 -39.23 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' PHE . . . . . 0.611 ' HB3' ' O ' ' B' ' 111' ' ' VAL . 36.5 m-85 -63.95 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.218 0.533 . . . . 0.0 111.031 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 92.8 mt -73.49 -10.69 59.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' B' ' 103' ' ' ASN . 65.3 mm-40 -96.51 -19.81 18.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.334 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.88 -70.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 19.6 p -92.82 -34.13 13.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.168 0.508 . . . . 0.0 111.058 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.33 5.38 49.28 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' B' ' 105' ' ' PHE . 12.6 p -136.91 147.59 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.899 -0.65 . . . . 0.0 109.45 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 p -121.93 125.72 73.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.224 0.535 . . . . 0.0 110.839 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.84 120.96 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.814 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 115' ' ' PRO . 9.4 tt0 -58.87 -50.29 88.79 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.04 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 114' ' ' GLN . 52.6 Cg_endo -68.98 15.95 0.18 Allowed 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.473 2.115 . . . . 0.0 113.51 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.623 ' O ' HG12 ' B' ' 120' ' ' ILE . 42.7 t80 -106.96 -52.39 2.77 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 169.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.48 -36.42 77.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.053 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.459 ' OD1' ' HA ' ' B' ' 115' ' ' PRO . 33.5 p-10 -67.34 -31.9 72.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.21 -176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.499 ' HA ' HE21 ' B' ' 122' ' ' GLN . 38.2 mm-40 -79.41 -32.5 42.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.745 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 116' ' ' PHE . 32.2 mm -62.45 -43.5 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.191 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -63.67 -33.94 76.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.499 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.499 HE21 ' HA ' ' B' ' 119' ' ' GLU . 18.9 mt-30 -72.06 -32.28 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.706 177.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.47 -50.46 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.404 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 120' ' ' ILE . 39.4 t -57.61 -41.77 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 4.1 p -73.86 -37.19 64.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.024 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' MET . . . . . . . . . . . . . 27.9 ptm -72.68 -31.59 65.17 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.923 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -73.17 0.27 12.2 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 120.688 0.28 . . . . 0.0 111.458 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.01 -41.81 25.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.212 0.529 . . . . 0.0 110.056 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -77.36 -15.59 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.12 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.25 -47.55 81.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.936 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 83.89 -26.07 4.99 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.554 173.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -77.03 -5.63 49.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.499 0.666 . . . . 0.0 111.261 -176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ASN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -84.89 -38.54 19.3 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 113.976 -1.466 . . . . 0.0 110.067 178.044 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' B' ' 136' ' ' SER . 13.8 t70 -69.64 -30.64 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.56 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 134' ' ' ASP . 25.8 m 58.71 -27.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 126.13 1.772 . . . . 0.0 114.579 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 134' ' ' ASP . 17.4 m 57.48 32.63 22.1 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.412 0.685 . . . . 0.0 111.755 175.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.293 -178.861 . . . . . . . . 0 0 . 1 stop_ save_